1-(1-aminocyclopropyl)pent-4-en-2-one

C8H13NO — CID 130796920

IUPAC1-(1-aminocyclopropyl)pent-4-en-2-one
SMILESC=CCC(=O)CC1(N)CC1
InChIInChI=1S/C8H13NO/c1-2-3-7(10)6-8(9)4-5-8/h2H,1,3-6,9H2
InChIKeyPIDHWJPZULFELD-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.01
Rot. Bonds4

About 1-(1-aminocyclopropyl)pent-4-en-2-one

1-(1-aminocyclopropyl)pent-4-en-2-one (PubChem CID 130796920) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(1-aminocyclopropyl)pent-4-en-2-one.

Molecular Properties

Compound Name1-(1-aminocyclopropyl)pent-4-en-2-one
PubChem CID130796920
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-(1-aminocyclopropyl)pent-4-en-2-one
SMILESC=CCC(=O)CC1(N)CC1
InChIInChI=1S/C8H13NO/c1-2-3-7(10)6-8(9)4-5-8/h2H,1,3-6,9H2
InChIKeyPIDHWJPZULFELD-UHFFFAOYSA-N
XLogP1.01
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-aminocyclopentyl)pent-4-en-2-one
CID 116578589
1-(1-aminocyclohexyl)hept-6-en-2-one
CID 116579053
1-(1-aminocyclopropyl)pent-4-yn-2-one
CID 130872557
1-(1-aminocyclohexyl)non-8-en-2-one
CID 107010892
1-(1-aminocyclopropyl)-4-methylpentan-2-one
CID 131228317
nona-1,8-diene-4,6-dione
CID 88861984
1-penta-1,4-dien-2-ylcyclopropane-1-carboxylic acid
CID 70501382
1-(aziridin-1-yl)but-3-en-1-one
CID 170562782
1-but-3-enylcyclopropan-1-amine
CID 154468321
3-oxohex-5-enoic acid
CID 22076660
azane;2-methylidenepent-4-enamide
CID 87195427
2-[[2-(1-aminocyclohexyl)acetyl]-prop-2-enylamino]acetic acid
CID 79263851

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopropyl)pent-4-en-2-one?
The IUPAC name of 1-(1-aminocyclopropyl)pent-4-en-2-one (CID 130796920) is 1-(1-aminocyclopropyl)pent-4-en-2-one.
What is the SMILES notation for 1-(1-aminocyclopropyl)pent-4-en-2-one?
The canonical SMILES for 1-(1-aminocyclopropyl)pent-4-en-2-one is C=CCC(=O)CC1(N)CC1.
What is the InChIKey of 1-(1-aminocyclopropyl)pent-4-en-2-one?
The InChIKey is PIDHWJPZULFELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-3-7(10)6-8(9)4-5-8/h2H,1,3-6,9H2.
What are the key properties of 1-(1-aminocyclopropyl)pent-4-en-2-one?
1-(1-aminocyclopropyl)pent-4-en-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopropyl)pent-4-en-2-one is sourced from PubChem (CID 130796920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).