(2Z)-2-ethylidene-3-methyl-5-methylidene-1,4-bis(prop-1-en-2-yl)pyrrole

C14H19N — CID 139589189

IUPAC(2Z)-2-ethylidene-3-methyl-5-methylidene-1,4-bis(prop-1-en-2-yl)pyrrole
SMILESC=C(C)c1c(C)/c(=C/C)n(C(=C)C)c1=C
InChIInChI=1S/C14H19N/c1-8-13-11(6)14(9(2)3)12(7)15(13)10(4)5/h8H,2,4,7H2,1,3,5-6H3/b13-8-
InChIKeyDXDQPBOQGTZSTP-JYRVWZFOSA-N
MW201.31 g/mol
LogP2.53
Rot. Bonds2

About (2Z)-2-ethylidene-3-methyl-5-methylidene-1,4-bis(prop-1-en-2-yl)pyrrole

(2Z)-2-ethylidene-3-methyl-5-methylidene-1,4-bis(prop-1-en-2-yl)pyrrole (PubChem CID 139589189) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (2Z)-2-ethylidene-3-methyl-5-methylidene-1,4-bis(prop-1-en-2-yl)pyrrole.

Molecular Properties

Compound Name(2Z)-2-ethylidene-3-methyl-5-methylidene-1,4-bis(prop-1-en-2-yl)pyrrole
PubChem CID139589189
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(2Z)-2-ethylidene-3-methyl-5-methylidene-1,4-bis(prop-1-en-2-yl)pyrrole
SMILESC=C(C)c1c(C)/c(=C/C)n(C(=C)C)c1=C
InChIInChI=1S/C14H19N/c1-8-13-11(6)14(9(2)3)12(7)15(13)10(4)5/h8H,2,4,7H2,1,3,5-6H3/b13-8-
InChIKeyDXDQPBOQGTZSTP-JYRVWZFOSA-N
XLogP2.53
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4Z)-3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-1-fluoro-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]pyrrole
CID 135243302
(2E,3E)-3-(1-fluoroethylidene)-1,5-dimethyl-2-propylidenepyrrole
CID 144831865
(4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-fluoro-4,5-bis(prop-2-enylidene)pyrrole
CID 146588305
(4Z)-3-[(1Z)-buta-1,3-dienyl]-1-fluoro-2-methyl-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]pyrrole
CID 166837117
(5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-fluoro-4-methylidene-5-[(2Z)-penta-2,4-dienylidene]pyrrole
CID 169958124
(4Z)-2-ethenyl-1-fluoro-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-3-[(Z)-prop-1-enyl]pyrrole
CID 170444086
Pyrrolidine, 1-(3-methyl-1-propylidene-2-hexenyl)-
CID 5373916
N,N,4-trimethylcyclopenta-1,3-dien-1-amine
CID 20704977
(3Z)-3-butan-2-ylidene-1-ethyl-2,5-dimethylidenepyrrolidine
CID 20723072
N,N,3,4-tetramethylcyclopenta-1,3-dien-1-amine
CID 21881024
1,1,2,3,5-Pentamethylpyrrol-1-ium
CID 53740292
N,N-diethyl-5,6-dihydro-3H-inden-1-amine
CID 57129555

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethylidene-3-methyl-5-methylidene-1,4-bis(prop-1-en-2-yl)pyrrole?
The IUPAC name of (2Z)-2-ethylidene-3-methyl-5-methylidene-1,4-bis(prop-1-en-2-yl)pyrrole (CID 139589189) is (2Z)-2-ethylidene-3-methyl-5-methylidene-1,4-bis(prop-1-en-2-yl)pyrrole.
What is the SMILES notation for (2Z)-2-ethylidene-3-methyl-5-methylidene-1,4-bis(prop-1-en-2-yl)pyrrole?
The canonical SMILES for (2Z)-2-ethylidene-3-methyl-5-methylidene-1,4-bis(prop-1-en-2-yl)pyrrole is C=C(C)c1c(C)/c(=C/C)n(C(=C)C)c1=C.
What is the InChIKey of (2Z)-2-ethylidene-3-methyl-5-methylidene-1,4-bis(prop-1-en-2-yl)pyrrole?
The InChIKey is DXDQPBOQGTZSTP-JYRVWZFOSA-N. The full InChI is InChI=1S/C14H19N/c1-8-13-11(6)14(9(2)3)12(7)15(13)10(4)5/h8H,2,4,7H2,1,3,5-6H3/b13-8-.
What are the key properties of (2Z)-2-ethylidene-3-methyl-5-methylidene-1,4-bis(prop-1-en-2-yl)pyrrole?
(2Z)-2-ethylidene-3-methyl-5-methylidene-1,4-bis(prop-1-en-2-yl)pyrrole has a molecular weight of 201.31 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethylidene-3-methyl-5-methylidene-1,4-bis(prop-1-en-2-yl)pyrrole is sourced from PubChem (CID 139589189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).