N-ethenylazepane-1-carboxamide

C9H16N2O — CID 108909170

IUPACN-ethenylazepane-1-carboxamide
SMILESC=CNC(=O)N1CCCCCC1
InChIInChI=1S/C9H16N2O/c1-2-10-9(12)11-7-5-3-4-6-8-11/h2H,1,3-8H2,(H,10,12)
InChIKeyZGLXYCHTJSDGQJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.72
Rot. Bonds1

About N-ethenylazepane-1-carboxamide

N-ethenylazepane-1-carboxamide (PubChem CID 108909170) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-ethenylazepane-1-carboxamide.

Molecular Properties

Compound NameN-ethenylazepane-1-carboxamide
PubChem CID108909170
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-ethenylazepane-1-carboxamide
SMILESC=CNC(=O)N1CCCCCC1
InChIInChI=1S/C9H16N2O/c1-2-10-9(12)11-7-5-3-4-6-8-11/h2H,1,3-8H2,(H,10,12)
InChIKeyZGLXYCHTJSDGQJ-UHFFFAOYSA-N
XLogP1.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(piperidine-1-carbonylamino)methyl]piperidine-1-carboxamide
CID 59031008
N-ethenylpyrrolidine-1-carbothioamide
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N-prop-2-enylpyrrolidine-1-carboxamide
CID 102517238
N-[(1Z,3E)-penta-1,3-dienyl]pyrrolidine-1-carboxamide
CID 6140892
N-[(E)-2-cyclopropylprop-1-enyl]pyrrolidine-1-carboxamide
CID 108915443
N-methoxyazocane-1-carboxamide
CID 130891205
N-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 130685357
N-[(E)-2-(4-fluorophenyl)ethenyl]azepane-1-carboxamide
CID 108908063
2-(azocane-1-carbonylamino)acetic acid
CID 43445649
N-(cyclopropanecarbonyl)azepane-1-carboxamide
CID 110866290
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
1-piperidin-1-ylprop-2-en-1-one;prop-2-enamide
CID 70414957

Frequently Asked Questions

What is the IUPAC name of N-ethenylazepane-1-carboxamide?
The IUPAC name of N-ethenylazepane-1-carboxamide (CID 108909170) is N-ethenylazepane-1-carboxamide.
What is the SMILES notation for N-ethenylazepane-1-carboxamide?
The canonical SMILES for N-ethenylazepane-1-carboxamide is C=CNC(=O)N1CCCCCC1.
What is the InChIKey of N-ethenylazepane-1-carboxamide?
The InChIKey is ZGLXYCHTJSDGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-10-9(12)11-7-5-3-4-6-8-11/h2H,1,3-8H2,(H,10,12).
What are the key properties of N-ethenylazepane-1-carboxamide?
N-ethenylazepane-1-carboxamide has a molecular weight of 168.24 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylazepane-1-carboxamide is sourced from PubChem (CID 108909170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).