N-(3H-azepin-4-ylmethyl)acetamide

C9H12N2O — CID 143108270

IUPACN-(3H-azepin-4-ylmethyl)acetamide
SMILESCC(=O)NCC1=CC=CN=CC1
InChIInChI=1S/C9H12N2O/c1-8(12)11-7-9-3-2-5-10-6-4-9/h2-3,5-6H,4,7H2,1H3,(H,11,12)
InChIKeyNPSLHHDXWQDTEC-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.04
Rot. Bonds2

About N-(3H-azepin-4-ylmethyl)acetamide

N-(3H-azepin-4-ylmethyl)acetamide (PubChem CID 143108270) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is N-(3H-azepin-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(3H-azepin-4-ylmethyl)acetamide
PubChem CID143108270
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC NameN-(3H-azepin-4-ylmethyl)acetamide
SMILESCC(=O)NCC1=CC=CN=CC1
InChIInChI=1S/C9H12N2O/c1-8(12)11-7-9-3-2-5-10-6-4-9/h2-3,5-6H,4,7H2,1H3,(H,11,12)
InChIKeyNPSLHHDXWQDTEC-UHFFFAOYSA-N
XLogP1.04
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide
CID 142831770
1,9a-Dihydro-1,4-benzodiazepin-2-one
CID 70179867
N-[(E)-2-ethenyl-4-methyliminobut-2-enyl]acetamide
CID 139505612
molecular hydrogen;N-pentyl-3H-azepine-4-carboxamide
CID 142213042
N-[2-(3H-azepin-4-yl)ethyl]-2,2-dimethylpropanamide;ethane
CID 143529180
N-[(E)-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enyl]acetamide
CID 144540768
N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-3-methylbut-3-enamide
CID 144603700
(2E)-4-(ethenyliminomethyl)-N,3-dimethylpenta-2,4-dienamide
CID 145198431
N-[(2E,4Z)-2-ethyl-3-methyl-5-(methylideneamino)penta-2,4-dienyl]propanamide
CID 146416723
N-methyl-2-(3-methyl-3H-azepin-6-yl)acetamide
CID 154964950
N-(6,7-dihydroisoquinolin-6-yl)acetamide
CID 160361254
(Z)-N-(4-aminobutyl)-2-methylidene-5-methyliminopent-3-enamide
CID 178020094

Frequently Asked Questions

What is the IUPAC name of N-(3H-azepin-4-ylmethyl)acetamide?
The IUPAC name of N-(3H-azepin-4-ylmethyl)acetamide (CID 143108270) is N-(3H-azepin-4-ylmethyl)acetamide.
What is the SMILES notation for N-(3H-azepin-4-ylmethyl)acetamide?
The canonical SMILES for N-(3H-azepin-4-ylmethyl)acetamide is CC(=O)NCC1=CC=CN=CC1.
What is the InChIKey of N-(3H-azepin-4-ylmethyl)acetamide?
The InChIKey is NPSLHHDXWQDTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-8(12)11-7-9-3-2-5-10-6-4-9/h2-3,5-6H,4,7H2,1H3,(H,11,12).
What are the key properties of N-(3H-azepin-4-ylmethyl)acetamide?
N-(3H-azepin-4-ylmethyl)acetamide has a molecular weight of 164.21 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-azepin-4-ylmethyl)acetamide is sourced from PubChem (CID 143108270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).