3,4-bis(ethenyl)-1,5-dimethyl-5-propan-2-yl-2H-pyrrole;ethane

C17H33N — CID 172575209

IUPAC3,4-bis(ethenyl)-1,5-dimethyl-5-propan-2-yl-2H-pyrrole;ethane
SMILESC=CC1=C(C=C)C(C)(C(C)C)N(C)C1.CC.CC
InChIInChI=1S/C13H21N.2C2H6/c1-7-11-9-14(6)13(5,10(3)4)12(11)8-2;2*1-2/h7-8,10H,1-2,9H2,3-6H3;2*1-2H3
InChIKeyLLORVYKVFDJIBV-UHFFFAOYSA-N
MW251.46 g/mol
LogP5.07
Rot. Bonds3

About 3,4-bis(ethenyl)-1,5-dimethyl-5-propan-2-yl-2H-pyrrole;ethane

3,4-bis(ethenyl)-1,5-dimethyl-5-propan-2-yl-2H-pyrrole;ethane (PubChem CID 172575209) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-1,5-dimethyl-5-propan-2-yl-2H-pyrrole;ethane.

Molecular Properties

Compound Name3,4-bis(ethenyl)-1,5-dimethyl-5-propan-2-yl-2H-pyrrole;ethane
PubChem CID172575209
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name3,4-bis(ethenyl)-1,5-dimethyl-5-propan-2-yl-2H-pyrrole;ethane
SMILESC=CC1=C(C=C)C(C)(C(C)C)N(C)C1.CC.CC
InChIInChI=1S/C13H21N.2C2H6/c1-7-11-9-14(6)13(5,10(3)4)12(11)8-2;2*1-2/h7-8,10H,1-2,9H2,3-6H3;2*1-2H3
InChIKeyLLORVYKVFDJIBV-UHFFFAOYSA-N
XLogP5.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 53837124
N,N-diethyl-3,7,11-trimethyltrideca-2,4,10-trien-1-amine
CID 53979130
Cyanomethyl-(3,7-dimethyl-4-prop-1-en-2-ylnona-1,6,8-trien-3-yl)-dimethylazanium
CID 54034706
2-Tert-butyl-6-(3,5-dimethylhexan-3-yl)-6-methyl-1,3-dihydrocyclohepta[c]pyrrole
CID 90805278
(2E)-2-ethenyl-N-[(Z)-hex-3-en-2-yl]-N,6-dimethylocta-2,7-dien-1-amine
CID 118616229
(2Z,6Z)-N-ethyl-N,8,9-trimethyl-4,5-dimethylidenecyclonona-2,6-dien-1-amine
CID 130444240
1-[(2E)-3-ethyl-2-(2-methylhexan-3-yl)hexa-2,4-dienyl]-3-propylpyrrolidine
CID 134382977
(5E,7Z)-5-ethenyl-N-ethyl-3-methyl-N-propylnona-1,5,7-trien-4-amine;prop-1-ene
CID 143866472
(2Z,4Z)-5,7-dimethyl-6-methylideneocta-2,4-diene;N-methyl-N-propylpropan-1-amine
CID 144144852
(Z,5E)-5-ethylidene-N,N,2,6,7,8-hexamethylnon-3-en-2-amine
CID 167013475
2-cyclopenta-2,4-dien-1-yl-N-ethyl-N-methylbutan-2-amine
CID 167159215

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-1,5-dimethyl-5-propan-2-yl-2H-pyrrole;ethane?
The IUPAC name of 3,4-bis(ethenyl)-1,5-dimethyl-5-propan-2-yl-2H-pyrrole;ethane (CID 172575209) is 3,4-bis(ethenyl)-1,5-dimethyl-5-propan-2-yl-2H-pyrrole;ethane.
What is the SMILES notation for 3,4-bis(ethenyl)-1,5-dimethyl-5-propan-2-yl-2H-pyrrole;ethane?
The canonical SMILES for 3,4-bis(ethenyl)-1,5-dimethyl-5-propan-2-yl-2H-pyrrole;ethane is C=CC1=C(C=C)C(C)(C(C)C)N(C)C1.CC.CC.
What is the InChIKey of 3,4-bis(ethenyl)-1,5-dimethyl-5-propan-2-yl-2H-pyrrole;ethane?
The InChIKey is LLORVYKVFDJIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N.2C2H6/c1-7-11-9-14(6)13(5,10(3)4)12(11)8-2;2*1-2/h7-8,10H,1-2,9H2,3-6H3;2*1-2H3.
What are the key properties of 3,4-bis(ethenyl)-1,5-dimethyl-5-propan-2-yl-2H-pyrrole;ethane?
3,4-bis(ethenyl)-1,5-dimethyl-5-propan-2-yl-2H-pyrrole;ethane has a molecular weight of 251.46 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-1,5-dimethyl-5-propan-2-yl-2H-pyrrole;ethane is sourced from PubChem (CID 172575209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).