3-(2-aminoprop-2-enyl)heptan-2-one

C10H19NO — CID 142070733

IUPAC3-(2-aminoprop-2-enyl)heptan-2-one
SMILESC=C(N)CC(CCCC)C(C)=O
InChIInChI=1S/C10H19NO/c1-4-5-6-10(9(3)12)7-8(2)11/h10H,2,4-7,11H2,1,3H3
InChIKeyMBRHYJXVYOAHKE-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.24
Rot. Bonds6

About 3-(2-aminoprop-2-enyl)heptan-2-one

3-(2-aminoprop-2-enyl)heptan-2-one (PubChem CID 142070733) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(2-aminoprop-2-enyl)heptan-2-one.

Molecular Properties

Compound Name3-(2-aminoprop-2-enyl)heptan-2-one
PubChem CID142070733
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-(2-aminoprop-2-enyl)heptan-2-one
SMILESC=C(N)CC(CCCC)C(C)=O
InChIInChI=1S/C10H19NO/c1-4-5-6-10(9(3)12)7-8(2)11/h10H,2,4-7,11H2,1,3H3
InChIKeyMBRHYJXVYOAHKE-UHFFFAOYSA-N
XLogP2.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoprop-2-enyl)heptan-2-one?
The IUPAC name of 3-(2-aminoprop-2-enyl)heptan-2-one (CID 142070733) is 3-(2-aminoprop-2-enyl)heptan-2-one.
What is the SMILES notation for 3-(2-aminoprop-2-enyl)heptan-2-one?
The canonical SMILES for 3-(2-aminoprop-2-enyl)heptan-2-one is C=C(N)CC(CCCC)C(C)=O.
What is the InChIKey of 3-(2-aminoprop-2-enyl)heptan-2-one?
The InChIKey is MBRHYJXVYOAHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-6-10(9(3)12)7-8(2)11/h10H,2,4-7,11H2,1,3H3.
What are the key properties of 3-(2-aminoprop-2-enyl)heptan-2-one?
3-(2-aminoprop-2-enyl)heptan-2-one has a molecular weight of 169.27 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoprop-2-enyl)heptan-2-one is sourced from PubChem (CID 142070733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).