1-(1-aminocyclopropyl)-4-methylpentan-2-one

C9H17NO — CID 131228317

IUPAC1-(1-aminocyclopropyl)-4-methylpentan-2-one
SMILESCC(C)CC(=O)CC1(N)CC1
InChIInChI=1S/C9H17NO/c1-7(2)5-8(11)6-9(10)3-4-9/h7H,3-6,10H2,1-2H3
InChIKeyCEQYNGGPMZKKHR-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.48
Rot. Bonds4

About 1-(1-aminocyclopropyl)-4-methylpentan-2-one

1-(1-aminocyclopropyl)-4-methylpentan-2-one (PubChem CID 131228317) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(1-aminocyclopropyl)-4-methylpentan-2-one.

Molecular Properties

Compound Name1-(1-aminocyclopropyl)-4-methylpentan-2-one
PubChem CID131228317
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(1-aminocyclopropyl)-4-methylpentan-2-one
SMILESCC(C)CC(=O)CC1(N)CC1
InChIInChI=1S/C9H17NO/c1-7(2)5-8(11)6-9(10)3-4-9/h7H,3-6,10H2,1-2H3
InChIKeyCEQYNGGPMZKKHR-UHFFFAOYSA-N
XLogP1.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-aminocyclopentyl)-6-methylheptan-2-one
CID 116578739
1-(1-aminocyclohexyl)-6-methylheptan-2-one
CID 116579027
1-(1-aminocyclopropyl)pent-4-yn-2-one
CID 130872557
1-(1-aminocyclopropyl)pent-4-en-2-one
CID 130796920
chloromethane;2,6-dimethylheptan-4-one
CID 174654113
acetic acid;2,6-dimethylheptan-4-one
CID 135383464
5-methyl-3-oxohexanamide
CID 140847068
4-methylpentan-2-yl 2-(1-aminocyclobutyl)acetate
CID 79845276
2-(1-aminocyclopentyl)-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 64686086
2-(1-aminocyclopentyl)-N-methyl-N-propan-2-ylacetamide
CID 64684739
1-(1-aminocyclohexyl)-5-methylsulfonylpentan-2-one
CID 116578935
1-amino-1-cyclopropyl-5-methylhexan-3-one
CID 116608690

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopropyl)-4-methylpentan-2-one?
The IUPAC name of 1-(1-aminocyclopropyl)-4-methylpentan-2-one (CID 131228317) is 1-(1-aminocyclopropyl)-4-methylpentan-2-one.
What is the SMILES notation for 1-(1-aminocyclopropyl)-4-methylpentan-2-one?
The canonical SMILES for 1-(1-aminocyclopropyl)-4-methylpentan-2-one is CC(C)CC(=O)CC1(N)CC1.
What is the InChIKey of 1-(1-aminocyclopropyl)-4-methylpentan-2-one?
The InChIKey is CEQYNGGPMZKKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)5-8(11)6-9(10)3-4-9/h7H,3-6,10H2,1-2H3.
What are the key properties of 1-(1-aminocyclopropyl)-4-methylpentan-2-one?
1-(1-aminocyclopropyl)-4-methylpentan-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopropyl)-4-methylpentan-2-one is sourced from PubChem (CID 131228317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).