2-amino-1-cyclopropylhex-5-en-3-one

C9H15NO — CID 165471071

IUPAC2-amino-1-cyclopropylhex-5-en-3-one
SMILESC=CCC(=O)C(N)CC1CC1
InChIInChI=1S/C9H15NO/c1-2-3-9(11)8(10)6-7-4-5-7/h2,7-8H,1,3-6,10H2
InChIKeyZYYIPAZQPXMESX-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.26
Rot. Bonds5

About 2-amino-1-cyclopropylhex-5-en-3-one

2-amino-1-cyclopropylhex-5-en-3-one (PubChem CID 165471071) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-amino-1-cyclopropylhex-5-en-3-one.

Molecular Properties

Compound Name2-amino-1-cyclopropylhex-5-en-3-one
PubChem CID165471071
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-amino-1-cyclopropylhex-5-en-3-one
SMILESC=CCC(=O)C(N)CC1CC1
InChIInChI=1S/C9H15NO/c1-2-3-9(11)8(10)6-7-4-5-7/h2,7-8H,1,3-6,10H2
InChIKeyZYYIPAZQPXMESX-UHFFFAOYSA-N
XLogP1.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.26
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

2-amino-3-cyclopropylpropanoic acid
CID 519178
2-amino-3-cyclopropyl-N-oxopropanamide
CID 143351908
5-amino-7-methoxyhept-1-en-4-one
CID 116567168
methyl 2-amino-3-cyclopropylpropanoate;hydrochloride
CID 66593108
(2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid
CID 59382839
2-amino-3-cyclobutylpropanamide
CID 65458295
3-amino-4-cyclobutyl-2-oxo-N-prop-2-enylbutanamide
CID 143100840
3-amino-1-cyclohexylhex-5-en-2-one
CID 116606979
tert-butyl (2S)-2-amino-3-cyclopropylpropanoate
CID 12018345
(2R)-2-amino-3-cyclopropyl-N-ethylpropanamide
CID 82668057
1-cyclohexyl-1-methoxypent-4-en-2-one
CID 116750869
3-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one
CID 82395020

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-cyclopropylhex-5-en-3-one?
The IUPAC name of 2-amino-1-cyclopropylhex-5-en-3-one (CID 165471071) is 2-amino-1-cyclopropylhex-5-en-3-one.
What is the SMILES notation for 2-amino-1-cyclopropylhex-5-en-3-one?
The canonical SMILES for 2-amino-1-cyclopropylhex-5-en-3-one is C=CCC(=O)C(N)CC1CC1.
What is the InChIKey of 2-amino-1-cyclopropylhex-5-en-3-one?
The InChIKey is ZYYIPAZQPXMESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-3-9(11)8(10)6-7-4-5-7/h2,7-8H,1,3-6,10H2.
What are the key properties of 2-amino-1-cyclopropylhex-5-en-3-one?
2-amino-1-cyclopropylhex-5-en-3-one has a molecular weight of 153.22 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-cyclopropylhex-5-en-3-one is sourced from PubChem (CID 165471071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).