2-chloro-N-[(1S)-1-cyano-2-(2-methylcyclopropyl)ethyl]acetamide

C9H13ClN2O — CID 129172393

IUPAC2-chloro-N-[(1S)-1-cyano-2-(2-methylcyclopropyl)ethyl]acetamide
SMILESCC1CC1C[C@@H](C#N)NC(=O)CCl
InChIInChI=1S/C9H13ClN2O/c1-6-2-7(6)3-8(5-11)12-9(13)4-10/h6-8H,2-4H2,1H3,(H,12,13)/t6?,7?,8-/m0/s1
InChIKeyHIVAOFLONWVELI-RRQHEKLDSA-N
MW200.67 g/mol
LogP1.28
Rot. Bonds4

About 2-chloro-N-[(1S)-1-cyano-2-(2-methylcyclopropyl)ethyl]acetamide

2-chloro-N-[(1S)-1-cyano-2-(2-methylcyclopropyl)ethyl]acetamide (PubChem CID 129172393) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-1-cyano-2-(2-methylcyclopropyl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(1S)-1-cyano-2-(2-methylcyclopropyl)ethyl]acetamide
PubChem CID129172393
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name2-chloro-N-[(1S)-1-cyano-2-(2-methylcyclopropyl)ethyl]acetamide
SMILESCC1CC1C[C@@H](C#N)NC(=O)CCl
InChIInChI=1S/C9H13ClN2O/c1-6-2-7(6)3-8(5-11)12-9(13)4-10/h6-8H,2-4H2,1H3,(H,12,13)/t6?,7?,8-/m0/s1
InChIKeyHIVAOFLONWVELI-RRQHEKLDSA-N
XLogP1.28
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acetamide, 2-chloro-N-(1-methyl-2-propylpentyl)-
CID 3040307
2-chloro-N-(1-cyano-3-methylbutyl)-2-fluoroacetamide
CID 166334676
N-(6-Chloro-6-cyano-4-ethylhexan-3-yl)acetamide
CID 13361519
N-[1-(2-cyanocyclopropyl)ethyl]acetamide
CID 123450586
2-chloro-N-[(1R)-3-[(cyclopropylamino)methyl]cyclohexyl]acetamide
CID 178431855
2-chloro-N-(2-cyanocyclopentyl)acetamide
CID 62962539
2-chloro-N-(2-cyanocyclopentyl)propanamide
CID 62962723
2-chloro-N-(1-cyclopropylbutan-2-yl)acetamide
CID 63995826
2-chloro-N-(1-cyclopropylbutan-2-yl)propanamide
CID 63996428
2-chloro-N-(1-cyclopropylpropan-2-yl)acetamide
CID 64001866
2-chloro-N-(1-cyclopropylpropan-2-yl)propanamide
CID 64003137
2-chloro-N-(4-methylhexan-2-yl)acetamide
CID 65514759

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-1-cyano-2-(2-methylcyclopropyl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-[(1S)-1-cyano-2-(2-methylcyclopropyl)ethyl]acetamide (CID 129172393) is 2-chloro-N-[(1S)-1-cyano-2-(2-methylcyclopropyl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(1S)-1-cyano-2-(2-methylcyclopropyl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[(1S)-1-cyano-2-(2-methylcyclopropyl)ethyl]acetamide is CC1CC1C[C@@H](C#N)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[(1S)-1-cyano-2-(2-methylcyclopropyl)ethyl]acetamide?
The InChIKey is HIVAOFLONWVELI-RRQHEKLDSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-6-2-7(6)3-8(5-11)12-9(13)4-10/h6-8H,2-4H2,1H3,(H,12,13)/t6?,7?,8-/m0/s1.
What are the key properties of 2-chloro-N-[(1S)-1-cyano-2-(2-methylcyclopropyl)ethyl]acetamide?
2-chloro-N-[(1S)-1-cyano-2-(2-methylcyclopropyl)ethyl]acetamide has a molecular weight of 200.67 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S)-1-cyano-2-(2-methylcyclopropyl)ethyl]acetamide is sourced from PubChem (CID 129172393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).