4-amino-1-cyclopropylpent-3-en-2-one

C8H13NO — CID 130732609

IUPAC4-amino-1-cyclopropylpent-3-en-2-one
SMILESCC(N)=CC(=O)CC1CC1
InChIInChI=1S/C8H13NO/c1-6(9)4-8(10)5-7-2-3-7/h4,7H,2-3,5,9H2,1H3
InChIKeyAGOYRDREVUWVMC-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.22
Rot. Bonds3

About 4-amino-1-cyclopropylpent-3-en-2-one

4-amino-1-cyclopropylpent-3-en-2-one (PubChem CID 130732609) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-amino-1-cyclopropylpent-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-cyclopropylpent-3-en-2-one
PubChem CID130732609
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name4-amino-1-cyclopropylpent-3-en-2-one
SMILESCC(N)=CC(=O)CC1CC1
InChIInChI=1S/C8H13NO/c1-6(9)4-8(10)5-7-2-3-7/h4,7H,2-3,5,9H2,1H3
InChIKeyAGOYRDREVUWVMC-UHFFFAOYSA-N
XLogP1.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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1-cyclohexyl-4-hydroxyhex-3-en-2-one
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1-(8-azabicyclo[3.2.1]octan-3-yl)-4-methylpent-3-en-2-one
CID 116588455
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(Z,6R)-2-amino-6-hydroxyhept-2-en-4-one
CID 55285585
3-cyclopentyl-2-oxopropanal
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2,6-diaminohepta-2,5-dien-4-one
CID 74377910
(Z)-3-amino-N-[4-[[4-[[(Z)-3-aminobut-2-enoyl]amino]-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]but-2-enamide
CID 70503053
(E)-3-[[4-[(E)-2-acetyl-3-hydroxybut-2-enyl]cyclohexyl]methyl]-4-hydroxypent-3-en-2-one
CID 6993330
(3R)-3-amino-1-cyclopropylbutan-2-one
CID 96732436

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropylpent-3-en-2-one?
The IUPAC name of 4-amino-1-cyclopropylpent-3-en-2-one (CID 130732609) is 4-amino-1-cyclopropylpent-3-en-2-one.
What is the SMILES notation for 4-amino-1-cyclopropylpent-3-en-2-one?
The canonical SMILES for 4-amino-1-cyclopropylpent-3-en-2-one is CC(N)=CC(=O)CC1CC1.
What is the InChIKey of 4-amino-1-cyclopropylpent-3-en-2-one?
The InChIKey is AGOYRDREVUWVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6(9)4-8(10)5-7-2-3-7/h4,7H,2-3,5,9H2,1H3.
What are the key properties of 4-amino-1-cyclopropylpent-3-en-2-one?
4-amino-1-cyclopropylpent-3-en-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropylpent-3-en-2-one is sourced from PubChem (CID 130732609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).