3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(cyclobutylmethyl)-5,6,7,8-tetrahydroquinolin-2-one

C17H23N3O — CID 143709271

IUPAC3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(cyclobutylmethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILES[H]/N=C/C(=C\N)c1cc2c(n(CC3CCC3)c1=O)CCCC2
InChIInChI=1S/C17H23N3O/c18-9-14(10-19)15-8-13-6-1-2-7-16(13)20(17(15)21)11-12-4-3-5-12/h8-10,12,18H,1-7,11,19H2/b14-10+,18-9+
InChIKeyRPFZXZDFLPWRHX-NQXHEMEXSA-N
MW285.39 g/mol
LogP2.48
Rot. Bonds4

About 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(cyclobutylmethyl)-5,6,7,8-tetrahydroquinolin-2-one

3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(cyclobutylmethyl)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 143709271) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(cyclobutylmethyl)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(cyclobutylmethyl)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID143709271
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(cyclobutylmethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILES[H]/N=C/C(=C\N)c1cc2c(n(CC3CCC3)c1=O)CCCC2
InChIInChI=1S/C17H23N3O/c18-9-14(10-19)15-8-13-6-1-2-7-16(13)20(17(15)21)11-12-4-3-5-12/h8-10,12,18H,1-7,11,19H2/b14-10+,18-9+
InChIKeyRPFZXZDFLPWRHX-NQXHEMEXSA-N
XLogP2.48
TPSA71.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(cyclobutylmethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(cyclobutylmethyl)-5,6,7,8-tetrahydroquinolin-2-one (CID 143709271) is 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(cyclobutylmethyl)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(cyclobutylmethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(cyclobutylmethyl)-5,6,7,8-tetrahydroquinolin-2-one is [H]/N=C/C(=C\N)c1cc2c(n(CC3CCC3)c1=O)CCCC2.
What is the InChIKey of 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(cyclobutylmethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is RPFZXZDFLPWRHX-NQXHEMEXSA-N. The full InChI is InChI=1S/C17H23N3O/c18-9-14(10-19)15-8-13-6-1-2-7-16(13)20(17(15)21)11-12-4-3-5-12/h8-10,12,18H,1-7,11,19H2/b14-10+,18-9+.
What are the key properties of 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(cyclobutylmethyl)-5,6,7,8-tetrahydroquinolin-2-one?
3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(cyclobutylmethyl)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 285.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(cyclobutylmethyl)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 143709271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).