(2E,3Z)-2-butylidene-1-methyl-3-propylidenepyrrole;ethane

C16H31N — CID 142489421

IUPAC(2E,3Z)-2-butylidene-1-methyl-3-propylidenepyrrole;ethane
SMILESCC.CC.CC/C=c1/ccn(C)/c1=C/CCC
InChIInChI=1S/C12H19N.2C2H6/c1-4-6-8-12-11(7-5-2)9-10-13(12)3;2*1-2/h7-10H,4-6H2,1-3H3;2*1-2H3/b11-7-,12-8+;;
InChIKeyZDXGPVHGIDCWPL-KMHHAUMDSA-N
MW237.43 g/mol
LogP3.85
Rot. Bonds3

About (2E,3Z)-2-butylidene-1-methyl-3-propylidenepyrrole;ethane

(2E,3Z)-2-butylidene-1-methyl-3-propylidenepyrrole;ethane (PubChem CID 142489421) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is (2E,3Z)-2-butylidene-1-methyl-3-propylidenepyrrole;ethane.

Molecular Properties

Compound Name(2E,3Z)-2-butylidene-1-methyl-3-propylidenepyrrole;ethane
PubChem CID142489421
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name(2E,3Z)-2-butylidene-1-methyl-3-propylidenepyrrole;ethane
SMILESCC.CC.CC/C=c1/ccn(C)/c1=C/CCC
InChIInChI=1S/C12H19N.2C2H6/c1-4-6-8-12-11(7-5-2)9-10-13(12)3;2*1-2/h7-10H,4-6H2,1-3H3;2*1-2H3/b11-7-,12-8+;;
InChIKeyZDXGPVHGIDCWPL-KMHHAUMDSA-N
XLogP3.85
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Pentalene, 1,3-bis(dimethylamino)-
CID 139825
4,8-Dimethyl-10,10a-dihydropyrido[1,2-a]azepine
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4,8,10a-trimethyl-10H-pyrido[1,2-a]azepine
CID 21597247
Dimethylaminofulvene
CID 90007951
(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine
CID 123501893
4-fluoro-N-methyl-N-(3-methylidenepenta-1,4-dienyl)cyclohexa-1,3-dien-1-amine
CID 123679769
(3Z,5Z)-N-ethenyl-3-fluoro-N,5-dimethyl-8-methylidenedeca-3,5,9-trien-4-amine
CID 138564061
(1E,3Z,5E)-5-ethenyl-N-ethyl-6-fluoro-N-[1-(1-methyl-2H-pyridin-4-yl)ethenyl]hepta-1,3,5-trien-1-amine
CID 146260476
(6E)-1-ethyl-6-ethylidene-2-[(3E)-3-fluoropenta-1,3-dien-2-yl]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyridine
CID 146385505
(1Z,3E)-5-N-[(Z)-3-fluoropent-2-en-2-yl]-1-N,1-N,5-N,3,4-pentamethylhexa-1,3,5-triene-1,5-diamine
CID 163702676
(2E,5E,7E)-N-ethenyl-N,3-difluoro-4-methylidene-6,7-bis[(Z)-prop-1-enyl]deca-2,5,7-trien-5-amine
CID 167067875

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-butylidene-1-methyl-3-propylidenepyrrole;ethane?
The IUPAC name of (2E,3Z)-2-butylidene-1-methyl-3-propylidenepyrrole;ethane (CID 142489421) is (2E,3Z)-2-butylidene-1-methyl-3-propylidenepyrrole;ethane.
What is the SMILES notation for (2E,3Z)-2-butylidene-1-methyl-3-propylidenepyrrole;ethane?
The canonical SMILES for (2E,3Z)-2-butylidene-1-methyl-3-propylidenepyrrole;ethane is CC.CC.CC/C=c1/ccn(C)/c1=C/CCC.
What is the InChIKey of (2E,3Z)-2-butylidene-1-methyl-3-propylidenepyrrole;ethane?
The InChIKey is ZDXGPVHGIDCWPL-KMHHAUMDSA-N. The full InChI is InChI=1S/C12H19N.2C2H6/c1-4-6-8-12-11(7-5-2)9-10-13(12)3;2*1-2/h7-10H,4-6H2,1-3H3;2*1-2H3/b11-7-,12-8+;;.
What are the key properties of (2E,3Z)-2-butylidene-1-methyl-3-propylidenepyrrole;ethane?
(2E,3Z)-2-butylidene-1-methyl-3-propylidenepyrrole;ethane has a molecular weight of 237.43 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-butylidene-1-methyl-3-propylidenepyrrole;ethane is sourced from PubChem (CID 142489421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).