2-cyano-N-[(1-methylcyclopropyl)methyl]acetamide

C8H12N2O — CID 104919970

IUPAC2-cyano-N-[(1-methylcyclopropyl)methyl]acetamide
SMILESCC1(CNC(=O)CC#N)CC1
InChIInChI=1S/C8H12N2O/c1-8(3-4-8)6-10-7(11)2-5-9/h2-4,6H2,1H3,(H,10,11)
InChIKeyFWFJLVAYYKTXPW-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.82
Rot. Bonds3

About 2-cyano-N-[(1-methylcyclopropyl)methyl]acetamide

2-cyano-N-[(1-methylcyclopropyl)methyl]acetamide (PubChem CID 104919970) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-cyano-N-[(1-methylcyclopropyl)methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(1-methylcyclopropyl)methyl]acetamide
PubChem CID104919970
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-cyano-N-[(1-methylcyclopropyl)methyl]acetamide
SMILESCC1(CNC(=O)CC#N)CC1
InChIInChI=1S/C8H12N2O/c1-8(3-4-8)6-10-7(11)2-5-9/h2-4,6H2,1H3,(H,10,11)
InChIKeyFWFJLVAYYKTXPW-UHFFFAOYSA-N
XLogP0.82
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 104920672
2-cyano-N-[(1-fluorocyclobutyl)methyl]acetamide
CID 130666101
2-methoxy-N-[(1-methylcyclopropyl)methyl]acetamide
CID 103722186
2-[2-[(1-methylcyclopropyl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104588516
4-cyano-N-[(1-methylcyclopropyl)methyl]oxane-4-carboxamide
CID 103722107
2-(2-methoxyethoxy)-N-[(1-methylcyclopropyl)methyl]acetamide
CID 103722075
2-cyano-N-[(1-methylcyclopentyl)methyl]propanamide
CID 63829788
2-methoxy-N-[(1-methylcyclopentyl)methyl]acetamide
CID 63822122
2-methoxy-N-[(1-methylcyclobutyl)methyl]acetamide
CID 103737380
2-cyano-N-(1-cyanocyclopropyl)acetamide
CID 131036144
N-[(1-methylcyclopropyl)methyl]cyclopropanecarboxamide
CID 103722140
2-(2-cyanophenoxy)-N-[(1-methylcyclobutyl)methyl]acetamide
CID 103737425

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(1-methylcyclopropyl)methyl]acetamide?
The IUPAC name of 2-cyano-N-[(1-methylcyclopropyl)methyl]acetamide (CID 104919970) is 2-cyano-N-[(1-methylcyclopropyl)methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[(1-methylcyclopropyl)methyl]acetamide?
The canonical SMILES for 2-cyano-N-[(1-methylcyclopropyl)methyl]acetamide is CC1(CNC(=O)CC#N)CC1.
What is the InChIKey of 2-cyano-N-[(1-methylcyclopropyl)methyl]acetamide?
The InChIKey is FWFJLVAYYKTXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-8(3-4-8)6-10-7(11)2-5-9/h2-4,6H2,1H3,(H,10,11).
What are the key properties of 2-cyano-N-[(1-methylcyclopropyl)methyl]acetamide?
2-cyano-N-[(1-methylcyclopropyl)methyl]acetamide has a molecular weight of 152.20 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(1-methylcyclopropyl)methyl]acetamide is sourced from PubChem (CID 104919970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).