1-(4-aminopent-4-enyl)-5-methylidenepyrrol-2-one

C10H14N2O — CID 144635972

IUPAC1-(4-aminopent-4-enyl)-5-methylidenepyrrol-2-one
SMILESC=C(N)CCCN1C(=C)C=CC1=O
InChIInChI=1S/C10H14N2O/c1-8(11)4-3-7-12-9(2)5-6-10(12)13/h5-6H,1-4,7,11H2
InChIKeyUVARQGPYQLROCP-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.15
Rot. Bonds4

About 1-(4-aminopent-4-enyl)-5-methylidenepyrrol-2-one

1-(4-aminopent-4-enyl)-5-methylidenepyrrol-2-one (PubChem CID 144635972) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(4-aminopent-4-enyl)-5-methylidenepyrrol-2-one.

Molecular Properties

Compound Name1-(4-aminopent-4-enyl)-5-methylidenepyrrol-2-one
PubChem CID144635972
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name1-(4-aminopent-4-enyl)-5-methylidenepyrrol-2-one
SMILESC=C(N)CCCN1C(=C)C=CC1=O
InChIInChI=1S/C10H14N2O/c1-8(11)4-3-7-12-9(2)5-6-10(12)13/h5-6H,1-4,7,11H2
InChIKeyUVARQGPYQLROCP-UHFFFAOYSA-N
XLogP1.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminopropyl)-5-methylidenepyrrol-2-one
CID 145076519
(2S)-N-[2-[[2-[[2-(2-aminoprop-2-enylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[4-(2-methylidene-5-oxopyrrol-1-yl)butanoylamino]butanamide
CID 139456376
1-[4-(2,5-dimethylidenepyrrol-1-yl)butyl]-5-methylidenepyrrol-2-one
CID 146510260
10-(2,5-dioxopyrrol-1-yl)decanamide
CID 134211555
potassium 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 172866330
(2S)-2-[methyl-[6-(2-methylidene-5-oxopyrrol-1-yl)hexanoyl]amino]propanoic acid
CID 90250747
1-(7-amino-6-oxoheptyl)pyrrole-2,5-dione
CID 58173868
1-(12-amino-11-oxododecyl)pyrrole-2,5-dione
CID 58173871
1-(3-tert-butylpyrrolidin-1-yl)-13-(2-methylidene-5-oxopyrrol-1-yl)tridecane-1,8-dione
CID 157058851
2-amino-N-[4-(hexylamino)-4-oxobutyl]-6-(2-methylidene-5-oxopyrrol-1-yl)hexanamide
CID 142928624
ethene;1-(6-oxoheptyl)pyrrole-2,5-dione
CID 144940769
13-(2,5-dioxopyrrol-1-yl)tridecanoic acid
CID 71336496

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopent-4-enyl)-5-methylidenepyrrol-2-one?
The IUPAC name of 1-(4-aminopent-4-enyl)-5-methylidenepyrrol-2-one (CID 144635972) is 1-(4-aminopent-4-enyl)-5-methylidenepyrrol-2-one.
What is the SMILES notation for 1-(4-aminopent-4-enyl)-5-methylidenepyrrol-2-one?
The canonical SMILES for 1-(4-aminopent-4-enyl)-5-methylidenepyrrol-2-one is C=C(N)CCCN1C(=C)C=CC1=O.
What is the InChIKey of 1-(4-aminopent-4-enyl)-5-methylidenepyrrol-2-one?
The InChIKey is UVARQGPYQLROCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8(11)4-3-7-12-9(2)5-6-10(12)13/h5-6H,1-4,7,11H2.
What are the key properties of 1-(4-aminopent-4-enyl)-5-methylidenepyrrol-2-one?
1-(4-aminopent-4-enyl)-5-methylidenepyrrol-2-one has a molecular weight of 178.23 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopent-4-enyl)-5-methylidenepyrrol-2-one is sourced from PubChem (CID 144635972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).