1-[2-(aminomethyl)prop-2-enyl]quinolin-2-one

C13H14N2O — CID 103072482

IUPAC1-[2-(aminomethyl)prop-2-enyl]quinolin-2-one
SMILESC=C(CN)Cn1c(=O)ccc2ccccc21
InChIInChI=1S/C13H14N2O/c1-10(8-14)9-15-12-5-3-2-4-11(12)6-7-13(15)16/h2-7H,1,8-9,14H2
InChIKeyXGFQMSXWOMHPKP-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.52
Rot. Bonds3

About 1-[2-(aminomethyl)prop-2-enyl]quinolin-2-one

1-[2-(aminomethyl)prop-2-enyl]quinolin-2-one (PubChem CID 103072482) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-[2-(aminomethyl)prop-2-enyl]quinolin-2-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)prop-2-enyl]quinolin-2-one
PubChem CID103072482
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-[2-(aminomethyl)prop-2-enyl]quinolin-2-one
SMILESC=C(CN)Cn1c(=O)ccc2ccccc21
InChIInChI=1S/C13H14N2O/c1-10(8-14)9-15-12-5-3-2-4-11(12)6-7-13(15)16/h2-7H,1,8-9,14H2
InChIKeyXGFQMSXWOMHPKP-UHFFFAOYSA-N
XLogP1.52
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(cyclopropylamino)methyl]prop-2-enyl]quinolin-2-one
CID 103072486
trifluoro-[3-(2-oxoquinolin-1-yl)prop-1-en-2-yl]boranuide
CID 106746410
1-(3-methylbut-3-enyl)quinolin-2-one
CID 140970650
1-ethylquinolin-2-one;hydrochloride
CID 141095108
1-[(dimethylamino)methyl]quinolin-2-one
CID 143777821
1-(3-methylbut-2-enyl)quinolin-2-one
CID 57006693
1-[[1-(2-aminoethyl)cyclopropyl]methyl]quinolin-2-one
CID 65482356
2-[2-(aminomethyl)prop-2-enyl]isoquinolin-1-one
CID 103072838
2-[2-[(2-oxoquinolin-1-yl)methyl]phenyl]acetic acid
CID 22077317
1-[(4-chlorophenyl)methyl]quinolin-2-one
CID 58966930
1-[[chloro(dimethyl)silyl]methyl]quinolin-2-one
CID 10729461
1-[2-(dimethylamino)ethyl]quinolin-2-one
CID 45117450

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)prop-2-enyl]quinolin-2-one?
The IUPAC name of 1-[2-(aminomethyl)prop-2-enyl]quinolin-2-one (CID 103072482) is 1-[2-(aminomethyl)prop-2-enyl]quinolin-2-one.
What is the SMILES notation for 1-[2-(aminomethyl)prop-2-enyl]quinolin-2-one?
The canonical SMILES for 1-[2-(aminomethyl)prop-2-enyl]quinolin-2-one is C=C(CN)Cn1c(=O)ccc2ccccc21.
What is the InChIKey of 1-[2-(aminomethyl)prop-2-enyl]quinolin-2-one?
The InChIKey is XGFQMSXWOMHPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10(8-14)9-15-12-5-3-2-4-11(12)6-7-13(15)16/h2-7H,1,8-9,14H2.
What are the key properties of 1-[2-(aminomethyl)prop-2-enyl]quinolin-2-one?
1-[2-(aminomethyl)prop-2-enyl]quinolin-2-one has a molecular weight of 214.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)prop-2-enyl]quinolin-2-one is sourced from PubChem (CID 103072482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).