N-cyclohepta-1,3,5-trien-1-yl-N-methylcyclohexa-1,5-diene-1-carboxamide

C15H17NO — CID 163424850

IUPACN-cyclohepta-1,3,5-trien-1-yl-N-methylcyclohexa-1,5-diene-1-carboxamide
SMILESCN(C(=O)C1=CCCC=C1)C1=CC=CC=CC1
InChIInChI=1S/C15H17NO/c1-16(14-11-7-2-3-8-12-14)15(17)13-9-5-4-6-10-13/h2-3,5,7-11H,4,6,12H2,1H3
InChIKeyALPHSVROHOLEKA-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.12
Rot. Bonds2

About N-cyclohepta-1,3,5-trien-1-yl-N-methylcyclohexa-1,5-diene-1-carboxamide

N-cyclohepta-1,3,5-trien-1-yl-N-methylcyclohexa-1,5-diene-1-carboxamide (PubChem CID 163424850) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is N-cyclohepta-1,3,5-trien-1-yl-N-methylcyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-cyclohepta-1,3,5-trien-1-yl-N-methylcyclohexa-1,5-diene-1-carboxamide
PubChem CID163424850
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC NameN-cyclohepta-1,3,5-trien-1-yl-N-methylcyclohexa-1,5-diene-1-carboxamide
SMILESCN(C(=O)C1=CCCC=C1)C1=CC=CC=CC1
InChIInChI=1S/C15H17NO/c1-16(14-11-7-2-3-8-12-14)15(17)13-9-5-4-6-10-13/h2-3,5,7-11H,4,6,12H2,1H3
InChIKeyALPHSVROHOLEKA-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

di(cyclohexa-1,5-dien-1-yl)methanone;ethane
CID 144664025
N,N-dimethylcyclohepta-1,3,5-trien-1-amine
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ethane;N-methyl-N-[(Z)-2-(methylamino)ethenyl]cyclohexa-1,5-diene-1-carboxamide
CID 142032761
2-[cyclopenta-1,3-dien-1-yl(methyl)amino]-2-propan-2-yliminoacetic acid
CID 68541550
N-cyclopenta-1,3-dien-1-yl-N,2,2-trimethylpropanamide
CID 138460947
1-cyclohexa-1,5-dien-1-yl-2,2-dimethylpropan-1-one
CID 19747828
N,N-di(cyclopenta-1,3-dien-1-yl)acetamide
CID 12826858
1-cyclohexa-1,5-dien-1-yloxypropan-2-one
CID 23166254
2-(cyclohexa-1,5-diene-1-carbonylamino)acetic acid
CID 54330451
N,N-di(cyclopenta-1,3-dien-1-yl)-2-methylprop-2-enamide
CID 67022967
3-methylcyclodeca-1,3,5,7-tetraene
CID 91613149
methanol;2-(3-methylbuta-1,3-dien-2-yl)cyclohexa-1,3-diene
CID 164543952

Frequently Asked Questions

What is the IUPAC name of N-cyclohepta-1,3,5-trien-1-yl-N-methylcyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-cyclohepta-1,3,5-trien-1-yl-N-methylcyclohexa-1,5-diene-1-carboxamide (CID 163424850) is N-cyclohepta-1,3,5-trien-1-yl-N-methylcyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-cyclohepta-1,3,5-trien-1-yl-N-methylcyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-cyclohepta-1,3,5-trien-1-yl-N-methylcyclohexa-1,5-diene-1-carboxamide is CN(C(=O)C1=CCCC=C1)C1=CC=CC=CC1.
What is the InChIKey of N-cyclohepta-1,3,5-trien-1-yl-N-methylcyclohexa-1,5-diene-1-carboxamide?
The InChIKey is ALPHSVROHOLEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-16(14-11-7-2-3-8-12-14)15(17)13-9-5-4-6-10-13/h2-3,5,7-11H,4,6,12H2,1H3.
What are the key properties of N-cyclohepta-1,3,5-trien-1-yl-N-methylcyclohexa-1,5-diene-1-carboxamide?
N-cyclohepta-1,3,5-trien-1-yl-N-methylcyclohexa-1,5-diene-1-carboxamide has a molecular weight of 227.31 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohepta-1,3,5-trien-1-yl-N-methylcyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 163424850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).