2-methyl-4-propan-2-yliminonaphthalen-1-one

C14H15NO — CID 45487181

IUPAC2-methyl-4-propan-2-yliminonaphthalen-1-one
SMILESCC1=C/C(=N\C(C)C)c2ccccc2C1=O
InChIInChI=1S/C14H15NO/c1-9(2)15-13-8-10(3)14(16)12-7-5-4-6-11(12)13/h4-9H,1-3H3/b15-13+
InChIKeyRDPKFQFAMQRHBW-FYWRMAATSA-N
MW213.28 g/mol
LogP3.03
Rot. Bonds1

About 2-methyl-4-propan-2-yliminonaphthalen-1-one

2-methyl-4-propan-2-yliminonaphthalen-1-one (PubChem CID 45487181) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yliminonaphthalen-1-one.

Molecular Properties

Compound Name2-methyl-4-propan-2-yliminonaphthalen-1-one
PubChem CID45487181
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name2-methyl-4-propan-2-yliminonaphthalen-1-one
SMILESCC1=C/C(=N\C(C)C)c2ccccc2C1=O
InChIInChI=1S/C14H15NO/c1-9(2)15-13-8-10(3)14(16)12-7-5-4-6-11(12)13/h4-9H,1-3H3/b15-13+
InChIKeyRDPKFQFAMQRHBW-FYWRMAATSA-N
XLogP3.03
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3,3-Dimethyl-3,4-dihydroisoquinolin-1-yl)(phenyl)methanone
CID 720205
16-Azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),9,11,13(17)-pentaen-8-one
CID 5242334
2-(1-Oxo-4-propan-2-yliminonaphthalen-2-yl)-4-propan-2-yliminonaphthalen-1-one
CID 44465701
2-(1-Oxo-4-pentan-3-yliminonaphthalen-2-yl)-4-pentan-3-yliminonaphthalen-1-one
CID 46180669
4(3H)-Isoquinolinone, 3,3-dimethyl-, 2-oxide
CID 3075490
3-[3-[(4-Oxo-4-phenylbutan-2-ylidene)amino]propylimino]-1-phenylbutan-1-one
CID 329411
(Z)-N-(1-oxo-1H-inden-2(3H)-ylidene)methanamine oxide
CID 660555
2-Hydroxyimino-1-tetralone
CID 6813148
3-[5-[(4-Oxo-4-phenylbutan-2-ylidene)amino]pentylimino]-1-phenylbutan-1-one
CID 329415
(2E)-2-hydroxyimino-3,4-dihydronaphthalen-1-one
CID 6413926
3-[4-[(4-Oxo-4-phenylbutan-2-ylidene)amino]butylimino]-1-phenylbutan-1-one
CID 329417
Methanone, phenyl(3-phenyl-2H-azirin-2-yl)-
CID 570123

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-yliminonaphthalen-1-one?
The IUPAC name of 2-methyl-4-propan-2-yliminonaphthalen-1-one (CID 45487181) is 2-methyl-4-propan-2-yliminonaphthalen-1-one.
What is the SMILES notation for 2-methyl-4-propan-2-yliminonaphthalen-1-one?
The canonical SMILES for 2-methyl-4-propan-2-yliminonaphthalen-1-one is CC1=C/C(=N\C(C)C)c2ccccc2C1=O.
What is the InChIKey of 2-methyl-4-propan-2-yliminonaphthalen-1-one?
The InChIKey is RDPKFQFAMQRHBW-FYWRMAATSA-N. The full InChI is InChI=1S/C14H15NO/c1-9(2)15-13-8-10(3)14(16)12-7-5-4-6-11(12)13/h4-9H,1-3H3/b15-13+.
What are the key properties of 2-methyl-4-propan-2-yliminonaphthalen-1-one?
2-methyl-4-propan-2-yliminonaphthalen-1-one has a molecular weight of 213.28 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-yliminonaphthalen-1-one is sourced from PubChem (CID 45487181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).