N-[(2S)-1-acetyl-2-propylcyclopropyl]acetamide

C10H17NO2 — CID 89087951

IUPACN-[(2S)-1-acetyl-2-propylcyclopropyl]acetamide
SMILESCCC[C@H]1CC1(NC(C)=O)C(C)=O
InChIInChI=1S/C10H17NO2/c1-4-5-9-6-10(9,7(2)12)11-8(3)13/h9H,4-6H2,1-3H3,(H,11,13)/t9-,10?/m0/s1
InChIKeyMGKGCUGHVDXFDW-RGURZIINSA-N
MW183.25 g/mol
LogP1.27
Rot. Bonds4

About N-[(2S)-1-acetyl-2-propylcyclopropyl]acetamide

N-[(2S)-1-acetyl-2-propylcyclopropyl]acetamide (PubChem CID 89087951) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[(2S)-1-acetyl-2-propylcyclopropyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-acetyl-2-propylcyclopropyl]acetamide
PubChem CID89087951
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-[(2S)-1-acetyl-2-propylcyclopropyl]acetamide
SMILESCCC[C@H]1CC1(NC(C)=O)C(C)=O
InChIInChI=1S/C10H17NO2/c1-4-5-9-6-10(9,7(2)12)11-8(3)13/h9H,4-6H2,1-3H3,(H,11,13)/t9-,10?/m0/s1
InChIKeyMGKGCUGHVDXFDW-RGURZIINSA-N
XLogP1.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-acetyl-2-propylcyclopropyl]acetamide?
The IUPAC name of N-[(2S)-1-acetyl-2-propylcyclopropyl]acetamide (CID 89087951) is N-[(2S)-1-acetyl-2-propylcyclopropyl]acetamide.
What is the SMILES notation for N-[(2S)-1-acetyl-2-propylcyclopropyl]acetamide?
The canonical SMILES for N-[(2S)-1-acetyl-2-propylcyclopropyl]acetamide is CCC[C@H]1CC1(NC(C)=O)C(C)=O.
What is the InChIKey of N-[(2S)-1-acetyl-2-propylcyclopropyl]acetamide?
The InChIKey is MGKGCUGHVDXFDW-RGURZIINSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-5-9-6-10(9,7(2)12)11-8(3)13/h9H,4-6H2,1-3H3,(H,11,13)/t9-,10?/m0/s1.
What are the key properties of N-[(2S)-1-acetyl-2-propylcyclopropyl]acetamide?
N-[(2S)-1-acetyl-2-propylcyclopropyl]acetamide has a molecular weight of 183.25 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-acetyl-2-propylcyclopropyl]acetamide is sourced from PubChem (CID 89087951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).