(4-methylphenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanone

C19H21NO — CID 10378886

IUPAC(4-methylphenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanone
SMILESCc1ccc(C(=O)c2nc3c(cc2C)CCCCC3)cc1
InChIInChI=1S/C19H21NO/c1-13-8-10-15(11-9-13)19(21)18-14(2)12-16-6-4-3-5-7-17(16)20-18/h8-12H,3-7H2,1-2H3
InChIKeyMJFSNOQZGNLEMZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.20
Rot. Bonds2

About (4-methylphenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanone

(4-methylphenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanone (PubChem CID 10378886) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (4-methylphenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanone
PubChem CID10378886
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(4-methylphenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanone
SMILESCc1ccc(C(=O)c2nc3c(cc2C)CCCCC3)cc1
InChIInChI=1S/C19H21NO/c1-13-8-10-15(11-9-13)19(21)18-14(2)12-16-6-4-3-5-7-17(16)20-18/h8-12H,3-7H2,1-2H3
InChIKeyMJFSNOQZGNLEMZ-UHFFFAOYSA-N
XLogP4.20
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanone?
The IUPAC name of (4-methylphenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanone (CID 10378886) is (4-methylphenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanone.
What is the SMILES notation for (4-methylphenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanone?
The canonical SMILES for (4-methylphenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanone is Cc1ccc(C(=O)c2nc3c(cc2C)CCCCC3)cc1.
What is the InChIKey of (4-methylphenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanone?
The InChIKey is MJFSNOQZGNLEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-13-8-10-15(11-9-13)19(21)18-14(2)12-16-6-4-3-5-7-17(16)20-18/h8-12H,3-7H2,1-2H3.
What are the key properties of (4-methylphenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanone?
(4-methylphenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanone has a molecular weight of 279.38 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanone is sourced from PubChem (CID 10378886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).