N-methyl-7,8-didehydro-5,6,9,10-tetrahydrobenzo[8]annulene-3-carboxamide

C14H15NO — CID 178014437

IUPACN-methyl-7,8-didehydro-5,6,9,10-tetrahydrobenzo[8]annulene-3-carboxamide
SMILESCNC(=O)c1ccc2c(c1)CCC#CCC2
InChIInChI=1S/C14H15NO/c1-15-14(16)13-9-8-11-6-4-2-3-5-7-12(11)10-13/h8-10H,4-7H2,1H3,(H,15,16)
InChIKeyYYBBZYBNRLITGQ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.93
Rot. Bonds1

About N-methyl-7,8-didehydro-5,6,9,10-tetrahydrobenzo[8]annulene-3-carboxamide

N-methyl-7,8-didehydro-5,6,9,10-tetrahydrobenzo[8]annulene-3-carboxamide (PubChem CID 178014437) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is N-methyl-7,8-didehydro-5,6,9,10-tetrahydrobenzo[8]annulene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-7,8-didehydro-5,6,9,10-tetrahydrobenzo[8]annulene-3-carboxamide
PubChem CID178014437
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC NameN-methyl-7,8-didehydro-5,6,9,10-tetrahydrobenzo[8]annulene-3-carboxamide
SMILESCNC(=O)c1ccc2c(c1)CCC#CCC2
InChIInChI=1S/C14H15NO/c1-15-14(16)13-9-8-11-6-4-2-3-5-7-12(11)10-13/h8-10H,4-7H2,1H3,(H,15,16)
InChIKeyYYBBZYBNRLITGQ-UHFFFAOYSA-N
XLogP1.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 58147184
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CID 58663133
1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide
CID 22943140
N-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide;2,2,2-trifluoroacetic acid
CID 66898299
tert-butyl 7-(methylcarbamoyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate
CID 131866233
1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide
CID 47505612
3-cyclobutyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
CID 67161575
N-methyl-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
CID 53160438
N,1-dimethyl-2-oxo-3H-indole-5-carboxamide
CID 116827613
N-(4-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9191578
N-(4-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17495760
2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride
CID 171323399

Frequently Asked Questions

What is the IUPAC name of N-methyl-7,8-didehydro-5,6,9,10-tetrahydrobenzo[8]annulene-3-carboxamide?
The IUPAC name of N-methyl-7,8-didehydro-5,6,9,10-tetrahydrobenzo[8]annulene-3-carboxamide (CID 178014437) is N-methyl-7,8-didehydro-5,6,9,10-tetrahydrobenzo[8]annulene-3-carboxamide.
What is the SMILES notation for N-methyl-7,8-didehydro-5,6,9,10-tetrahydrobenzo[8]annulene-3-carboxamide?
The canonical SMILES for N-methyl-7,8-didehydro-5,6,9,10-tetrahydrobenzo[8]annulene-3-carboxamide is CNC(=O)c1ccc2c(c1)CCC#CCC2.
What is the InChIKey of N-methyl-7,8-didehydro-5,6,9,10-tetrahydrobenzo[8]annulene-3-carboxamide?
The InChIKey is YYBBZYBNRLITGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-15-14(16)13-9-8-11-6-4-2-3-5-7-12(11)10-13/h8-10H,4-7H2,1H3,(H,15,16).
What are the key properties of N-methyl-7,8-didehydro-5,6,9,10-tetrahydrobenzo[8]annulene-3-carboxamide?
N-methyl-7,8-didehydro-5,6,9,10-tetrahydrobenzo[8]annulene-3-carboxamide has a molecular weight of 213.28 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7,8-didehydro-5,6,9,10-tetrahydrobenzo[8]annulene-3-carboxamide is sourced from PubChem (CID 178014437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).