1-[2-[(cyclopropylamino)methyl]prop-2-enyl]quinolin-2-one

C16H18N2O — CID 103072486

IUPAC1-[2-[(cyclopropylamino)methyl]prop-2-enyl]quinolin-2-one
SMILESC=C(CNC1CC1)Cn1c(=O)ccc2ccccc21
InChIInChI=1S/C16H18N2O/c1-12(10-17-14-7-8-14)11-18-15-5-3-2-4-13(15)6-9-16(18)19/h2-6,9,14,17H,1,7-8,10-11H2
InChIKeyMRMJFOXGGGZKIG-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.31
Rot. Bonds5

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

1-[2-[(cyclopropylamino)methyl]prop-2-enyl]quinolin-2-one (PubChem CID 103072486) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]quinolin-2-one.

Molecular Properties

Compound Name1-[2-[(cyclopropylamino)methyl]prop-2-enyl]quinolin-2-one
PubChem CID103072486
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-[2-[(cyclopropylamino)methyl]prop-2-enyl]quinolin-2-one
SMILESC=C(CNC1CC1)Cn1c(=O)ccc2ccccc21
InChIInChI=1S/C16H18N2O/c1-12(10-17-14-7-8-14)11-18-15-5-3-2-4-13(15)6-9-16(18)19/h2-6,9,14,17H,1,7-8,10-11H2
InChIKeyMRMJFOXGGGZKIG-UHFFFAOYSA-N
XLogP2.31
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.31
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-(aminomethyl)prop-2-enyl]quinolin-2-one
CID 103072482
trifluoro-[3-(2-oxoquinolin-1-yl)prop-1-en-2-yl]boranuide
CID 106746410
1-(3-methylbut-3-enyl)quinolin-2-one
CID 140970650
3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 103072428
2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 103071840
7-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 103072125
N-[2-[(4-benzylpiperazin-1-yl)methyl]prop-2-enyl]cyclopropanamine
CID 103069010
1-ethylquinolin-2-one;hydrochloride
CID 141095108
4,7-dichloro-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 106989742
1-[(dimethylamino)methyl]quinolin-2-one
CID 143777821
1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidine-3,4-diol
CID 106673564
1-(3-methylbut-2-enyl)quinolin-2-one
CID 57006693

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]quinolin-2-one?
The IUPAC name of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]quinolin-2-one (CID 103072486) is 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]quinolin-2-one.
What is the SMILES notation for 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]quinolin-2-one?
The canonical SMILES for 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]quinolin-2-one is C=C(CNC1CC1)Cn1c(=O)ccc2ccccc21.
What is the InChIKey of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]quinolin-2-one?
The InChIKey is MRMJFOXGGGZKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12(10-17-14-7-8-14)11-18-15-5-3-2-4-13(15)6-9-16(18)19/h2-6,9,14,17H,1,7-8,10-11H2.
What are the key properties of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]quinolin-2-one?
1-[2-[(cyclopropylamino)methyl]prop-2-enyl]quinolin-2-one has a molecular weight of 254.33 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]quinolin-2-one is sourced from PubChem (CID 103072486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).