(2S)-2-acetylcyclopropane-1-carboxamide

C6H9NO2 — CID 89033165

IUPAC(2S)-2-acetylcyclopropane-1-carboxamide
SMILESCC(=O)[C@H]1CC1C(N)=O
InChIInChI=1S/C6H9NO2/c1-3(8)4-2-5(4)6(7)9/h4-5H,2H2,1H3,(H2,7,9)/t4-,5?/m1/s1
InChIKeyJWGIAHYLDDEHCB-CNZKWPKMSA-N
MW127.14 g/mol
LogP-0.30
Rot. Bonds2

About (2S)-2-acetylcyclopropane-1-carboxamide

(2S)-2-acetylcyclopropane-1-carboxamide (PubChem CID 89033165) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (2S)-2-acetylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-acetylcyclopropane-1-carboxamide
PubChem CID89033165
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(2S)-2-acetylcyclopropane-1-carboxamide
SMILESCC(=O)[C@H]1CC1C(N)=O
InChIInChI=1S/C6H9NO2/c1-3(8)4-2-5(4)6(7)9/h4-5H,2H2,1H3,(H2,7,9)/t4-,5?/m1/s1
InChIKeyJWGIAHYLDDEHCB-CNZKWPKMSA-N
XLogP-0.30
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetylcyclopropane-1-carboxamide?
The IUPAC name of (2S)-2-acetylcyclopropane-1-carboxamide (CID 89033165) is (2S)-2-acetylcyclopropane-1-carboxamide.
What is the SMILES notation for (2S)-2-acetylcyclopropane-1-carboxamide?
The canonical SMILES for (2S)-2-acetylcyclopropane-1-carboxamide is CC(=O)[C@H]1CC1C(N)=O.
What is the InChIKey of (2S)-2-acetylcyclopropane-1-carboxamide?
The InChIKey is JWGIAHYLDDEHCB-CNZKWPKMSA-N. The full InChI is InChI=1S/C6H9NO2/c1-3(8)4-2-5(4)6(7)9/h4-5H,2H2,1H3,(H2,7,9)/t4-,5?/m1/s1.
What are the key properties of (2S)-2-acetylcyclopropane-1-carboxamide?
(2S)-2-acetylcyclopropane-1-carboxamide has a molecular weight of 127.14 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetylcyclopropane-1-carboxamide is sourced from PubChem (CID 89033165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).