5-aminohex-1-en-3-one

C6H11NO — CID 116555878

IUPAC5-aminohex-1-en-3-one
SMILESC=CC(=O)CC(C)N
InChIInChI=1S/C6H11NO/c1-3-6(8)4-5(2)7/h3,5H,1,4,7H2,2H3
InChIKeyTWWPNIUJYBXCAX-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.48
Rot. Bonds3

About 5-aminohex-1-en-3-one

5-aminohex-1-en-3-one (PubChem CID 116555878) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 5-aminohex-1-en-3-one.

Molecular Properties

Compound Name5-aminohex-1-en-3-one
PubChem CID116555878
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name5-aminohex-1-en-3-one
SMILESC=CC(=O)CC(C)N
InChIInChI=1S/C6H11NO/c1-3-6(8)4-5(2)7/h3,5H,1,4,7H2,2H3
InChIKeyTWWPNIUJYBXCAX-UHFFFAOYSA-N
XLogP0.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.48
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

5-hydroxy-6-methylhept-1-en-3-one
CID 10606842
5,6,6-trimethylhept-1-en-3-one
CID 114982432
(5R)-5-methylnona-1,8-dien-3-one
CID 10582957
5-hydroxyhepta-1,6-dien-3-one
CID 157461743
N-(2-aminopropyl)prop-2-enamide
CID 19993421
(3S)-3-aminobutanoic acid;hydrochloride
CID 2761505
(3S)-3-aminobutanamide;hydrochloride
CID 57478871
5,9-dimethyldeca-1,8-dien-3-one
CID 85299318
N-(2-aminopropyl)-N-methylprop-2-enamide
CID 130563514
1-propan-2-yloxybut-3-en-2-one
CID 105110955
(4E)-4-methylhepta-4,6-dien-2-amine
CID 144723501
6-(2-methoxyethoxy)-5-methylhex-1-en-3-one
CID 158126506

Frequently Asked Questions

What is the IUPAC name of 5-aminohex-1-en-3-one?
The IUPAC name of 5-aminohex-1-en-3-one (CID 116555878) is 5-aminohex-1-en-3-one.
What is the SMILES notation for 5-aminohex-1-en-3-one?
The canonical SMILES for 5-aminohex-1-en-3-one is C=CC(=O)CC(C)N.
What is the InChIKey of 5-aminohex-1-en-3-one?
The InChIKey is TWWPNIUJYBXCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-6(8)4-5(2)7/h3,5H,1,4,7H2,2H3.
What are the key properties of 5-aminohex-1-en-3-one?
5-aminohex-1-en-3-one has a molecular weight of 113.16 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminohex-1-en-3-one is sourced from PubChem (CID 116555878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).