N-(azepan-4-yl)prop-2-enamide

C9H16N2O — CID 107172224

IUPACN-(azepan-4-yl)prop-2-enamide
SMILESC=CC(=O)NC1CCCNCC1
InChIInChI=1S/C9H16N2O/c1-2-9(12)11-8-4-3-6-10-7-5-8/h2,8,10H,1,3-7H2,(H,11,12)
InChIKeyWNLOPIGBKIPWAC-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.43
Rot. Bonds2

About N-(azepan-4-yl)prop-2-enamide

N-(azepan-4-yl)prop-2-enamide (PubChem CID 107172224) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-(azepan-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(azepan-4-yl)prop-2-enamide
PubChem CID107172224
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-(azepan-4-yl)prop-2-enamide
SMILESC=CC(=O)NC1CCCNCC1
InChIInChI=1S/C9H16N2O/c1-2-9(12)11-8-4-3-6-10-7-5-8/h2,8,10H,1,3-7H2,(H,11,12)
InChIKeyWNLOPIGBKIPWAC-UHFFFAOYSA-N
XLogP0.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-cyclodecylprop-2-enamide
CID 18400354
ethane;N-pyrrolidin-3-ylprop-2-enamide
CID 145096848
(E)-N-(azepan-4-yl)pent-2-enamide;hydrochloride
CID 131245624
N-(azepan-4-yl)cyclohexanecarboxamide
CID 105059767
N-(azepan-4-yl)prop-2-ynamide
CID 107172306
N-(azepan-4-yl)pyrrolidine-1-carboxamide
CID 107172613
N-(4-aminocyclohexyl)prop-2-enamide
CID 62319252
N-(5-azaspiro[3.5]nonan-8-yl)prop-2-enamide
CID 43595252
N-cyclohexylprop-2-enamide;N-prop-2-enylprop-2-enamide
CID 174429231
N-(azepan-4-yl)but-2-ynamide
CID 107990995
3-methyl-N-piperidin-3-ylbut-2-enamide
CID 63321543
N-(azepan-4-yl)dodecanamide
CID 105060891

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)prop-2-enamide?
The IUPAC name of N-(azepan-4-yl)prop-2-enamide (CID 107172224) is N-(azepan-4-yl)prop-2-enamide.
What is the SMILES notation for N-(azepan-4-yl)prop-2-enamide?
The canonical SMILES for N-(azepan-4-yl)prop-2-enamide is C=CC(=O)NC1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)prop-2-enamide?
The InChIKey is WNLOPIGBKIPWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-9(12)11-8-4-3-6-10-7-5-8/h2,8,10H,1,3-7H2,(H,11,12).
What are the key properties of N-(azepan-4-yl)prop-2-enamide?
N-(azepan-4-yl)prop-2-enamide has a molecular weight of 168.24 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)prop-2-enamide is sourced from PubChem (CID 107172224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).