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

C9H14N2O — CID 143711201

IUPACethane;4-ethenyl-3-(methylideneamino)-1,2-dihydropyrrol-5-one
SMILESC=CC1=C(N=C)CNC1=O.CC
InChIInChI=1S/C7H8N2O.C2H6/c1-3-5-6(8-2)4-9-7(5)10;1-2/h3H,1-2,4H2,(H,9,10);1-2H3
InChIKeyABPRIJNVRDQRTB-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.28
Rot. Bonds2

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

ethane;4-ethenyl-3-(methylideneamino)-1,2-dihydropyrrol-5-one (PubChem CID 143711201) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is ethane;4-ethenyl-3-(methylideneamino)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Nameethane;4-ethenyl-3-(methylideneamino)-1,2-dihydropyrrol-5-one
PubChem CID143711201
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Nameethane;4-ethenyl-3-(methylideneamino)-1,2-dihydropyrrol-5-one
SMILESC=CC1=C(N=C)CNC1=O.CC
InChIInChI=1S/C7H8N2O.C2H6/c1-3-5-6(8-2)4-9-7(5)10;1-2/h3H,1-2,4H2,(H,9,10);1-2H3
InChIKeyABPRIJNVRDQRTB-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'}

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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;3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one
CID 143711173
3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one
CID 143711174
ethane;5-ethenyl-4-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one
CID 143711214
ethane;5-ethenyl-4-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one
CID 143818770
(2Z)-N-methyl-2-(3-methylidenepyrazin-2-ylidene)but-3-enamide
CID 143913526
(2Z)-3-amino-2-ethenyl-N-propan-2-ylpenta-2,4-dienamide
CID 144081219
(2Z)-N,3-dimethyl-2-(methylideneamino)penta-2,4-dienamide;ethane
CID 144293754
4-ethenyl-3-(methylideneamino)-1-propan-2-yl-2H-pyrrol-5-one
CID 144396741
4-ethenyl-3-(ethylideneamino)-1-methyl-2H-pyrrol-5-one
CID 145127025

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethenyl-3-(methylideneamino)-1,2-dihydropyrrol-5-one?
The IUPAC name of ethane;4-ethenyl-3-(methylideneamino)-1,2-dihydropyrrol-5-one (CID 143711201) is ethane;4-ethenyl-3-(methylideneamino)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for ethane;4-ethenyl-3-(methylideneamino)-1,2-dihydropyrrol-5-one?
The canonical SMILES for ethane;4-ethenyl-3-(methylideneamino)-1,2-dihydropyrrol-5-one is C=CC1=C(N=C)CNC1=O.CC.
What is the InChIKey of ethane;4-ethenyl-3-(methylideneamino)-1,2-dihydropyrrol-5-one?
The InChIKey is ABPRIJNVRDQRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O.C2H6/c1-3-5-6(8-2)4-9-7(5)10;1-2/h3H,1-2,4H2,(H,9,10);1-2H3.
What are the key properties of ethane;4-ethenyl-3-(methylideneamino)-1,2-dihydropyrrol-5-one?
ethane;4-ethenyl-3-(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;4-ethenyl-3-(methylideneamino)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 143711201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).