1-(3-methylbut-2-enyl)quinolin-2-one

C14H15NO — CID 57006693

IUPAC1-(3-methylbut-2-enyl)quinolin-2-one
SMILESCC(C)=CCn1c(=O)ccc2ccccc21
InChIInChI=1S/C14H15NO/c1-11(2)9-10-15-13-6-4-3-5-12(13)7-8-14(15)16/h3-9H,10H2,1-2H3
InChIKeyZGMMCCPMSOAUJL-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.97
Rot. Bonds2

About 1-(3-methylbut-2-enyl)quinolin-2-one

1-(3-methylbut-2-enyl)quinolin-2-one (PubChem CID 57006693) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)quinolin-2-one.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)quinolin-2-one
PubChem CID57006693
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name1-(3-methylbut-2-enyl)quinolin-2-one
SMILESCC(C)=CCn1c(=O)ccc2ccccc21
InChIInChI=1S/C14H15NO/c1-11(2)9-10-15-13-6-4-3-5-12(13)7-8-14(15)16/h3-9H,10H2,1-2H3
InChIKeyZGMMCCPMSOAUJL-UHFFFAOYSA-N
XLogP2.97
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethylquinolin-2-one;hydrochloride
CID 141095108
1-(3-methylbut-3-enyl)quinolin-2-one
CID 140970650
1-[(dimethylamino)methyl]quinolin-2-one
CID 143777821
1-(3-methylbut-2-enyl)-2-oxoquinoline-4-carboxylic acid
CID 62041152
1-[[chloro(dimethyl)silyl]methyl]quinolin-2-one
CID 10729461
1-[2-(dimethylamino)ethyl]quinolin-2-one
CID 45117450
1-(3-methylbut-2-enyl)-6-phenylpyridin-2-one
CID 3567819
3-amino-1-(3-methylbut-2-enyl)quinoxalin-2-one
CID 139679717
1-[2-(aminomethyl)prop-2-enyl]quinolin-2-one
CID 103072482
2-[2-[(2-oxoquinolin-1-yl)methyl]phenyl]acetic acid
CID 22077317
1-[(2S)-3-iodo-2-methylpropyl]quinolin-2-one
CID 68910508
trifluoro-[3-(2-oxoquinolin-1-yl)prop-1-en-2-yl]boranuide
CID 106746410

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)quinolin-2-one?
The IUPAC name of 1-(3-methylbut-2-enyl)quinolin-2-one (CID 57006693) is 1-(3-methylbut-2-enyl)quinolin-2-one.
What is the SMILES notation for 1-(3-methylbut-2-enyl)quinolin-2-one?
The canonical SMILES for 1-(3-methylbut-2-enyl)quinolin-2-one is CC(C)=CCn1c(=O)ccc2ccccc21.
What is the InChIKey of 1-(3-methylbut-2-enyl)quinolin-2-one?
The InChIKey is ZGMMCCPMSOAUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-11(2)9-10-15-13-6-4-3-5-12(13)7-8-14(15)16/h3-9H,10H2,1-2H3.
What are the key properties of 1-(3-methylbut-2-enyl)quinolin-2-one?
1-(3-methylbut-2-enyl)quinolin-2-one has a molecular weight of 213.28 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)quinolin-2-one is sourced from PubChem (CID 57006693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).