(2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine

C15H24N2 — CID 161375572

IUPAC(2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine
SMILESC/C(C1=NCCC1)=C(C)\C(C)=C1/CCCN1C
InChIInChI=1S/C15H24N2/c1-11(12(2)14-7-5-9-16-14)13(3)15-8-6-10-17(15)4/h5-10H2,1-4H3/b12-11+,15-13+
InChIKeyYSTDLLRSYALWDK-NOVYJZLUSA-N
MW232.37 g/mol
LogP3.56
Rot. Bonds2

About (2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine

(2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine (PubChem CID 161375572) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine.

Molecular Properties

Compound Name(2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine
PubChem CID161375572
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine
SMILESC/C(C1=NCCC1)=C(C)\C(C)=C1/CCCN1C
InChIInChI=1S/C15H24N2/c1-11(12(2)14-7-5-9-16-14)13(3)15-8-6-10-17(15)4/h5-10H2,1-4H3/b12-11+,15-13+
InChIKeyYSTDLLRSYALWDK-NOVYJZLUSA-N
XLogP3.56
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,2,3-tetramethyl-4-[1-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclohex-2-en-1-ylidene]ethyl]cyclopenta-1,3-dien-1-amine
CID 59189184
N,N,2,3-tetramethyl-4-[(4E)-3,4,5,6-tetramethyl-7-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)octa-2,4,6-trien-2-yl]cyclopenta-1,3-dien-1-amine
CID 59189194
[4-[(3E)-6-[4-(dimethylamino)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-3,4,5-trimethylhepta-3,5-dien-2-ylidene]-2,3-dimethylcyclopent-2-en-1-ylidene]-dimethylazanium
CID 59189222
N,N,2,3-tetramethyl-4-[1-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]ethyl]cyclopenta-1,3-dien-1-amine
CID 59189228
1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]butan-2-ylidene]pyrrolidine
CID 59189291
1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclohex-2-en-1-ylidene]butan-2-ylidene]pyrrolidine
CID 59189324
Dimethyl-[3,4,6,7-tetramethyl-2,8-bis(1-methylpyrrolidin-2-ylidene)nona-3,6-dien-5-ylidene]azanium
CID 59887619
1-methyl-2-[3,4,6,7-tetramethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)-5-methylsulfanylnona-3,5,7-trien-2-ylidene]pyrrolidine
CID 59887620
(2E)-1-methyl-2-[(2E)-2-[2-methyl-3-[(E)-2-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine
CID 59933547
1-methyl-2-[(5E)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine
CID 60068739
(5Z)-N,6-dimethyl-1-pyrrolidin-1-ylocta-5,7-dien-4-imine
CID 157028512
[(4Z)-4-[(3E,5E)-6-[4-(dimethylamino)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-3,4,5-trimethylhepta-3,5-dien-2-ylidene]-2,3-dimethylcyclopent-2-en-1-ylidene]-dimethylazanium;(2Z)-1-methyl-2-[(3Z,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine;N,N,2,3-tetramethyl-4-[(2E,4E,6Z)-3,4,5,6-tetramethyl-7-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)octa-2,4,6-trien-2-yl]cyclopenta-1,3-dien-1-amine
CID 158803012

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine?
The IUPAC name of (2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine (CID 161375572) is (2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine.
What is the SMILES notation for (2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine?
The canonical SMILES for (2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine is C/C(C1=NCCC1)=C(C)\C(C)=C1/CCCN1C.
What is the InChIKey of (2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine?
The InChIKey is YSTDLLRSYALWDK-NOVYJZLUSA-N. The full InChI is InChI=1S/C15H24N2/c1-11(12(2)14-7-5-9-16-14)13(3)15-8-6-10-17(15)4/h5-10H2,1-4H3/b12-11+,15-13+.
What are the key properties of (2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine?
(2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine has a molecular weight of 232.37 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine is sourced from PubChem (CID 161375572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).