ethane;3-ethenyl-4-(methylideneamino)-1,2-dihydropyrrol-5-one

C9H14N2O — CID 145394076

IUPACethane;3-ethenyl-4-(methylideneamino)-1,2-dihydropyrrol-5-one
SMILESC=CC1=C(N=C)C(=O)NC1.CC
InChIInChI=1S/C7H8N2O.C2H6/c1-3-5-4-9-7(10)6(5)8-2;1-2/h3H,1-2,4H2,(H,9,10);1-2H3
InChIKeySIJWSHSLCMXWLV-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.28
Rot. Bonds2

About ethane;3-ethenyl-4-(methylideneamino)-1,2-dihydropyrrol-5-one

ethane;3-ethenyl-4-(methylideneamino)-1,2-dihydropyrrol-5-one (PubChem CID 145394076) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is ethane;3-ethenyl-4-(methylideneamino)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Nameethane;3-ethenyl-4-(methylideneamino)-1,2-dihydropyrrol-5-one
PubChem CID145394076
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Nameethane;3-ethenyl-4-(methylideneamino)-1,2-dihydropyrrol-5-one
SMILESC=CC1=C(N=C)C(=O)NC1.CC
InChIInChI=1S/C7H8N2O.C2H6/c1-3-5-4-9-7(10)6(5)8-2;1-2/h3H,1-2,4H2,(H,9,10);1-2H3
InChIKeySIJWSHSLCMXWLV-UHFFFAOYSA-N
XLogP1.28
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze ethane;3-ethenyl-4-(methylideneamino)-1,2-dihydropyrrol-5-one with MolForge

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

Launch Full Analysis

Related Compounds

ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
CID 142365592
4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
CID 142365593
N'-(1-acetyl-4-ethenyl-2,5-dihydropyrrol-3-yl)methanimidamide
CID 142586839
Ethane;4-ethenyl-3-(methylideneamino)-1,2-dihydropyrrol-5-one
CID 143711201
ethane;(2Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)penta-2,4-dienamide
CID 143810965
(2Z)-N,3-dimethyl-2-(methylideneamino)penta-2,4-dienamide;ethane
CID 144293754
4-ethenyl-5-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one
CID 144338510
4-ethenyl-3-(methylideneamino)-1-propan-2-yl-2H-pyrrol-5-one
CID 144396741
ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
CID 145261989
(2Z)-N-tert-butyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide;molecular hydrogen
CID 145293395
(2Z)-N-tert-butyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide
CID 145293396
ethane;4-ethenyl-5-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one
CID 145416167

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethenyl-4-(methylideneamino)-1,2-dihydropyrrol-5-one?
The IUPAC name of ethane;3-ethenyl-4-(methylideneamino)-1,2-dihydropyrrol-5-one (CID 145394076) is ethane;3-ethenyl-4-(methylideneamino)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for ethane;3-ethenyl-4-(methylideneamino)-1,2-dihydropyrrol-5-one?
The canonical SMILES for ethane;3-ethenyl-4-(methylideneamino)-1,2-dihydropyrrol-5-one is C=CC1=C(N=C)C(=O)NC1.CC.
What is the InChIKey of ethane;3-ethenyl-4-(methylideneamino)-1,2-dihydropyrrol-5-one?
The InChIKey is SIJWSHSLCMXWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O.C2H6/c1-3-5-4-9-7(10)6(5)8-2;1-2/h3H,1-2,4H2,(H,9,10);1-2H3.
What are the key properties of ethane;3-ethenyl-4-(methylideneamino)-1,2-dihydropyrrol-5-one?
ethane;3-ethenyl-4-(methylideneamino)-1,2-dihydropyrrol-5-one has a molecular weight of 166.22 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethenyl-4-(methylideneamino)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 145394076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).