ethane;N-[(2E)-3-methylidene-2-propylidenecyclopentyl]formamide;(3Z)-5-methyl-2-methylidene-3-prop-2-enylidene-1H-pyrrole

C25H44N2O — CID 143751477

IUPACethane;N-[(2E)-3-methylidene-2-propylidenecyclopentyl]formamide;(3Z)-5-methyl-2-methylidene-3-prop-2-enylidene-1H-pyrrole
SMILESC=C/C=c1/cc(C)[nH]c1=C.C=C1CCC(NC=O)/C1=C/CC.CC.CC.CC
InChIInChI=1S/C10H15NO.C9H11N.3C2H6/c1-3-4-9-8(2)5-6-10(9)11-7-12;1-4-5-9-6-7(2)10-8(9)3;3*1-2/h4,7,10H,2-3,5-6H2,1H3,(H,11,12);4-6,10H,1,3H2,2H3;3*1-2H3/b9-4+;9-5-;;;
InChIKeyJOKFPFDFYRKQBB-PZSXISRNSA-N
MW388.64 g/mol
LogP5.57
Rot. Bonds4

About ethane;N-[(2E)-3-methylidene-2-propylidenecyclopentyl]formamide;(3Z)-5-methyl-2-methylidene-3-prop-2-enylidene-1H-pyrrole

ethane;N-[(2E)-3-methylidene-2-propylidenecyclopentyl]formamide;(3Z)-5-methyl-2-methylidene-3-prop-2-enylidene-1H-pyrrole (PubChem CID 143751477) has the molecular formula C25H44N2O and a molecular weight of 388.64 g/mol. Its IUPAC name is ethane;N-[(2E)-3-methylidene-2-propylidenecyclopentyl]formamide;(3Z)-5-methyl-2-methylidene-3-prop-2-enylidene-1H-pyrrole.

Molecular Properties

Compound Nameethane;N-[(2E)-3-methylidene-2-propylidenecyclopentyl]formamide;(3Z)-5-methyl-2-methylidene-3-prop-2-enylidene-1H-pyrrole
PubChem CID143751477
Molecular FormulaC25H44N2O
Molecular Weight388.64 g/mol
Exact Mass388.35
IUPAC Nameethane;N-[(2E)-3-methylidene-2-propylidenecyclopentyl]formamide;(3Z)-5-methyl-2-methylidene-3-prop-2-enylidene-1H-pyrrole
SMILESC=C/C=c1/cc(C)[nH]c1=C.C=C1CCC(NC=O)/C1=C/CC.CC.CC.CC
InChIInChI=1S/C10H15NO.C9H11N.3C2H6/c1-3-4-9-8(2)5-6-10(9)11-7-12;1-4-5-9-6-7(2)10-8(9)3;3*1-2/h4,7,10H,2-3,5-6H2,1H3,(H,11,12);4-6,10H,1,3H2,2H3;3*1-2H3/b9-4+;9-5-;;;
InChIKeyJOKFPFDFYRKQBB-PZSXISRNSA-N
XLogP5.57
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.64
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze ethane;N-[(2E)-3-methylidene-2-propylidenecyclopentyl]formamide;(3Z)-5-methyl-2-methylidene-3-prop-2-enylidene-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2E)-3-methylidene-2-propylidenecyclopentyl]formamide;(3Z)-5-methyl-2-methylidene-3-prop-2-enylidene-1H-pyrrole?
The IUPAC name of ethane;N-[(2E)-3-methylidene-2-propylidenecyclopentyl]formamide;(3Z)-5-methyl-2-methylidene-3-prop-2-enylidene-1H-pyrrole (CID 143751477) is ethane;N-[(2E)-3-methylidene-2-propylidenecyclopentyl]formamide;(3Z)-5-methyl-2-methylidene-3-prop-2-enylidene-1H-pyrrole.
What is the SMILES notation for ethane;N-[(2E)-3-methylidene-2-propylidenecyclopentyl]formamide;(3Z)-5-methyl-2-methylidene-3-prop-2-enylidene-1H-pyrrole?
The canonical SMILES for ethane;N-[(2E)-3-methylidene-2-propylidenecyclopentyl]formamide;(3Z)-5-methyl-2-methylidene-3-prop-2-enylidene-1H-pyrrole is C=C/C=c1/cc(C)[nH]c1=C.C=C1CCC(NC=O)/C1=C/CC.CC.CC.CC.
What is the InChIKey of ethane;N-[(2E)-3-methylidene-2-propylidenecyclopentyl]formamide;(3Z)-5-methyl-2-methylidene-3-prop-2-enylidene-1H-pyrrole?
The InChIKey is JOKFPFDFYRKQBB-PZSXISRNSA-N. The full InChI is InChI=1S/C10H15NO.C9H11N.3C2H6/c1-3-4-9-8(2)5-6-10(9)11-7-12;1-4-5-9-6-7(2)10-8(9)3;3*1-2/h4,7,10H,2-3,5-6H2,1H3,(H,11,12);4-6,10H,1,3H2,2H3;3*1-2H3/b9-4+;9-5-;;;.
What are the key properties of ethane;N-[(2E)-3-methylidene-2-propylidenecyclopentyl]formamide;(3Z)-5-methyl-2-methylidene-3-prop-2-enylidene-1H-pyrrole?
ethane;N-[(2E)-3-methylidene-2-propylidenecyclopentyl]formamide;(3Z)-5-methyl-2-methylidene-3-prop-2-enylidene-1H-pyrrole has a molecular weight of 388.64 g/mol, XLogP of 5.57, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2E)-3-methylidene-2-propylidenecyclopentyl]formamide;(3Z)-5-methyl-2-methylidene-3-prop-2-enylidene-1H-pyrrole is sourced from PubChem (CID 143751477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).