2,3,4,5-tetrahydro-1H-azepine-7-carboxamide

C7H12N2O — CID 142785553

IUPAC2,3,4,5-tetrahydro-1H-azepine-7-carboxamide
SMILESNC(=O)C1=CCCCCN1
InChIInChI=1S/C7H12N2O/c8-7(10)6-4-2-1-3-5-9-6/h4,9H,1-3,5H2,(H2,8,10)
InChIKeyLNGASVBTKUCVNP-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.13
Rot. Bonds1

About 2,3,4,5-tetrahydro-1H-azepine-7-carboxamide

2,3,4,5-tetrahydro-1H-azepine-7-carboxamide (PubChem CID 142785553) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2,3,4,5-tetrahydro-1H-azepine-7-carboxamide.

Molecular Properties

Compound Name2,3,4,5-tetrahydro-1H-azepine-7-carboxamide
PubChem CID142785553
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2,3,4,5-tetrahydro-1H-azepine-7-carboxamide
SMILESNC(=O)C1=CCCCCN1
InChIInChI=1S/C7H12N2O/c8-7(10)6-4-2-1-3-5-9-6/h4,9H,1-3,5H2,(H2,8,10)
InChIKeyLNGASVBTKUCVNP-UHFFFAOYSA-N
XLogP0.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydro-1H-azepine-7-carboxamide?
The IUPAC name of 2,3,4,5-tetrahydro-1H-azepine-7-carboxamide (CID 142785553) is 2,3,4,5-tetrahydro-1H-azepine-7-carboxamide.
What is the SMILES notation for 2,3,4,5-tetrahydro-1H-azepine-7-carboxamide?
The canonical SMILES for 2,3,4,5-tetrahydro-1H-azepine-7-carboxamide is NC(=O)C1=CCCCCN1.
What is the InChIKey of 2,3,4,5-tetrahydro-1H-azepine-7-carboxamide?
The InChIKey is LNGASVBTKUCVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c8-7(10)6-4-2-1-3-5-9-6/h4,9H,1-3,5H2,(H2,8,10).
What are the key properties of 2,3,4,5-tetrahydro-1H-azepine-7-carboxamide?
2,3,4,5-tetrahydro-1H-azepine-7-carboxamide has a molecular weight of 140.19 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydro-1H-azepine-7-carboxamide is sourced from PubChem (CID 142785553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).