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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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).