(Z)-5-amino-1-cyclobutylhex-4-en-3-one

C10H17NO — CID 57438904

IUPAC(Z)-5-amino-1-cyclobutylhex-4-en-3-one
SMILESC/C(N)=C/C(=O)CCC1CCC1
InChIInChI=1S/C10H17NO/c1-8(11)7-10(12)6-5-9-3-2-4-9/h7,9H,2-6,11H2,1H3/b8-7-
InChIKeyVCOWHOFOIOSLLE-FPLPWBNLSA-N
MW167.25 g/mol
LogP2.00
Rot. Bonds4

About (Z)-5-amino-1-cyclobutylhex-4-en-3-one

(Z)-5-amino-1-cyclobutylhex-4-en-3-one (PubChem CID 57438904) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (Z)-5-amino-1-cyclobutylhex-4-en-3-one.

Molecular Properties

Compound Name(Z)-5-amino-1-cyclobutylhex-4-en-3-one
PubChem CID57438904
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(Z)-5-amino-1-cyclobutylhex-4-en-3-one
SMILESC/C(N)=C/C(=O)CCC1CCC1
InChIInChI=1S/C10H17NO/c1-8(11)7-10(12)6-5-9-3-2-4-9/h7,9H,2-6,11H2,1H3/b8-7-
InChIKeyVCOWHOFOIOSLLE-FPLPWBNLSA-N
XLogP2.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-5-amino-1-cyclobutylhex-4-en-3-one with MolForge

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

Launch Full Analysis

Related Compounds

1-cyclohexyl-5-methylhex-4-en-3-one
CID 115780649
4-amino-1-cyclopropylpent-3-en-2-one
CID 130732609
4-cyclohexyl-2-oxobutanamide
CID 69253318
3-cyclohexylpropanamide;ethane;methanamine
CID 178116013
3-cyclopentylpropanamide;molecular hydrogen
CID 142041552
3-cyclopropylpropanamide
CID 53414720
1-(2-cyclobutylethyl)-1-methylurea
CID 115168733
5-cyclopentylpentan-2-one
CID 18433881
acetyl 3-cyclohexylpropanoate
CID 175292524
N-(4-aminocyclohexyl)-3-cyclobutyl-N-methylpropanamide
CID 115277537
methyl 5-cyclohexyl-2-methyl-3-oxopentanoate
CID 139977687
3-cyclobutyl-N-methoxy-N-methylpropanamide
CID 142020643

Frequently Asked Questions

What is the IUPAC name of (Z)-5-amino-1-cyclobutylhex-4-en-3-one?
The IUPAC name of (Z)-5-amino-1-cyclobutylhex-4-en-3-one (CID 57438904) is (Z)-5-amino-1-cyclobutylhex-4-en-3-one.
What is the SMILES notation for (Z)-5-amino-1-cyclobutylhex-4-en-3-one?
The canonical SMILES for (Z)-5-amino-1-cyclobutylhex-4-en-3-one is C/C(N)=C/C(=O)CCC1CCC1.
What is the InChIKey of (Z)-5-amino-1-cyclobutylhex-4-en-3-one?
The InChIKey is VCOWHOFOIOSLLE-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(11)7-10(12)6-5-9-3-2-4-9/h7,9H,2-6,11H2,1H3/b8-7-.
What are the key properties of (Z)-5-amino-1-cyclobutylhex-4-en-3-one?
(Z)-5-amino-1-cyclobutylhex-4-en-3-one has a molecular weight of 167.25 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-amino-1-cyclobutylhex-4-en-3-one is sourced from PubChem (CID 57438904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).