1-(cyclobutylmethyl)-3-[(1E)-1-hydrazinylbuta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinolin-2-one

C18H25N3O — CID 89259694

IUPAC1-(cyclobutylmethyl)-3-[(1E)-1-hydrazinylbuta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinolin-2-one
SMILESC=C/C(=C\NN)c1cc2c(n(CC3CCC3)c1=O)CCCC2
InChIInChI=1S/C18H25N3O/c1-2-14(11-20-19)16-10-15-8-3-4-9-17(15)21(18(16)22)12-13-6-5-7-13/h2,10-11,13,20H,1,3-9,12,19H2/b14-11+
InChIKeyHAQQPSUJYKCWTH-SDNWHVSQSA-N
MW299.42 g/mol
LogP2.52
Rot. Bonds5

About 1-(cyclobutylmethyl)-3-[(1E)-1-hydrazinylbuta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinolin-2-one

1-(cyclobutylmethyl)-3-[(1E)-1-hydrazinylbuta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 89259694) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-[(1E)-1-hydrazinylbuta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-[(1E)-1-hydrazinylbuta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID89259694
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name1-(cyclobutylmethyl)-3-[(1E)-1-hydrazinylbuta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinolin-2-one
SMILESC=C/C(=C\NN)c1cc2c(n(CC3CCC3)c1=O)CCCC2
InChIInChI=1S/C18H25N3O/c1-2-14(11-20-19)16-10-15-8-3-4-9-17(15)21(18(16)22)12-13-6-5-7-13/h2,10-11,13,20H,1,3-9,12,19H2/b14-11+
InChIKeyHAQQPSUJYKCWTH-SDNWHVSQSA-N
XLogP2.52
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-[(1E)-1-hydrazinylbuta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-3-[(1E)-1-hydrazinylbuta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinolin-2-one (CID 89259694) is 1-(cyclobutylmethyl)-3-[(1E)-1-hydrazinylbuta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-[(1E)-1-hydrazinylbuta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-3-[(1E)-1-hydrazinylbuta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinolin-2-one is C=C/C(=C\NN)c1cc2c(n(CC3CCC3)c1=O)CCCC2.
What is the InChIKey of 1-(cyclobutylmethyl)-3-[(1E)-1-hydrazinylbuta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is HAQQPSUJYKCWTH-SDNWHVSQSA-N. The full InChI is InChI=1S/C18H25N3O/c1-2-14(11-20-19)16-10-15-8-3-4-9-17(15)21(18(16)22)12-13-6-5-7-13/h2,10-11,13,20H,1,3-9,12,19H2/b14-11+.
What are the key properties of 1-(cyclobutylmethyl)-3-[(1E)-1-hydrazinylbuta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinolin-2-one?
1-(cyclobutylmethyl)-3-[(1E)-1-hydrazinylbuta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 299.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-[(1E)-1-hydrazinylbuta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 89259694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).