1-(1-aminocyclopropyl)butan-1-one

C7H13NO — CID 116576503

IUPAC1-(1-aminocyclopropyl)butan-1-one
SMILESCCCC(=O)C1(N)CC1
InChIInChI=1S/C7H13NO/c1-2-3-6(9)7(8)4-5-7/h2-5,8H2,1H3
InChIKeyBIZGWXOBJHPZEC-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.85
Rot. Bonds3

About 1-(1-aminocyclopropyl)butan-1-one

1-(1-aminocyclopropyl)butan-1-one (PubChem CID 116576503) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-(1-aminocyclopropyl)butan-1-one.

Molecular Properties

Compound Name1-(1-aminocyclopropyl)butan-1-one
PubChem CID116576503
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-(1-aminocyclopropyl)butan-1-one
SMILESCCCC(=O)C1(N)CC1
InChIInChI=1S/C7H13NO/c1-2-3-6(9)7(8)4-5-7/h2-5,8H2,1H3
InChIKeyBIZGWXOBJHPZEC-UHFFFAOYSA-N
XLogP0.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-aminocyclopropyl)butan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopropyl)butan-1-one?
The IUPAC name of 1-(1-aminocyclopropyl)butan-1-one (CID 116576503) is 1-(1-aminocyclopropyl)butan-1-one.
What is the SMILES notation for 1-(1-aminocyclopropyl)butan-1-one?
The canonical SMILES for 1-(1-aminocyclopropyl)butan-1-one is CCCC(=O)C1(N)CC1.
What is the InChIKey of 1-(1-aminocyclopropyl)butan-1-one?
The InChIKey is BIZGWXOBJHPZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-3-6(9)7(8)4-5-7/h2-5,8H2,1H3.
What are the key properties of 1-(1-aminocyclopropyl)butan-1-one?
1-(1-aminocyclopropyl)butan-1-one has a molecular weight of 127.19 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopropyl)butan-1-one is sourced from PubChem (CID 116576503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).