N-methylcyclohepta-1,6-diene-1-carboxamide;molecular hydrogen

C9H15NO — CID 143509672

IUPACN-methylcyclohepta-1,6-diene-1-carboxamide;molecular hydrogen
SMILESCNC(=O)C1=CCCCC=C1.[H][H]
InChIInChI=1S/C9H13NO.H2/c1-10-9(11)8-6-4-2-3-5-7-8;/h4,6-7H,2-3,5H2,1H3,(H,10,11);1H
InChIKeyFTADUSJBXZVYHK-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.64
Rot. Bonds1

About N-methylcyclohepta-1,6-diene-1-carboxamide;molecular hydrogen

N-methylcyclohepta-1,6-diene-1-carboxamide;molecular hydrogen (PubChem CID 143509672) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-methylcyclohepta-1,6-diene-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-methylcyclohepta-1,6-diene-1-carboxamide;molecular hydrogen
PubChem CID143509672
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-methylcyclohepta-1,6-diene-1-carboxamide;molecular hydrogen
SMILESCNC(=O)C1=CCCCC=C1.[H][H]
InChIInChI=1S/C9H13NO.H2/c1-10-9(11)8-6-4-2-3-5-7-8;/h4,6-7H,2-3,5H2,1H3,(H,10,11);1H
InChIKeyFTADUSJBXZVYHK-UHFFFAOYSA-N
XLogP1.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-2-cyclohepta-1,6-dien-1-yl-N-methylbut-1-en-1-amine
CID 142246502
di(cyclohexa-1,5-dien-1-yl)methanone;ethane
CID 144664025
(1E,4Z)-5-fluoro-N-methyl-4-(trifluoromethyl)cycloocta-1,4,7-triene-1-carboxamide
CID 143471885
2-(cyclohexa-1,5-diene-1-carbonylamino)acetic acid
CID 54330451
N-methyl-2-propan-2-ylcyclohexa-1,5-diene-1-carboxamide
CID 177167286
N-(4-ethylphenyl)cyclohexa-1,5-diene-1-carboxamide
CID 145350320
S-(cyclohexa-1,5-diene-1-carbonylamino) 4-(methylamino)benzenecarbothioate
CID 144683097
1-cyclohexa-1,5-dien-1-yl-2,2-dimethylpropan-1-one
CID 19747828
N-(4-aminophenyl)cyclohexa-1,5-diene-1-carboxamide
CID 144544332
ethane;2-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide
CID 178170821
cyclohepta-1,6-dien-1-ylmethyl (2S)-2-aminopropanoate
CID 172578392
N-[2-methyl-1-(2-methylpropanoylamino)propan-2-yl]cyclohexa-1,5-diene-1-carboxamide
CID 143482196

Frequently Asked Questions

What is the IUPAC name of N-methylcyclohepta-1,6-diene-1-carboxamide;molecular hydrogen?
The IUPAC name of N-methylcyclohepta-1,6-diene-1-carboxamide;molecular hydrogen (CID 143509672) is N-methylcyclohepta-1,6-diene-1-carboxamide;molecular hydrogen.
What is the SMILES notation for N-methylcyclohepta-1,6-diene-1-carboxamide;molecular hydrogen?
The canonical SMILES for N-methylcyclohepta-1,6-diene-1-carboxamide;molecular hydrogen is CNC(=O)C1=CCCCC=C1.[H][H].
What is the InChIKey of N-methylcyclohepta-1,6-diene-1-carboxamide;molecular hydrogen?
The InChIKey is FTADUSJBXZVYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.H2/c1-10-9(11)8-6-4-2-3-5-7-8;/h4,6-7H,2-3,5H2,1H3,(H,10,11);1H.
What are the key properties of N-methylcyclohepta-1,6-diene-1-carboxamide;molecular hydrogen?
N-methylcyclohepta-1,6-diene-1-carboxamide;molecular hydrogen has a molecular weight of 153.22 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylcyclohepta-1,6-diene-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 143509672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).