N-[(1S,2R)-2-(furan-2-yl)cyclohexyl]acetamide

C12H17NO2 — CID 134958195

IUPACN-[(1S,2R)-2-(furan-2-yl)cyclohexyl]acetamide
SMILESCC(=O)N[C@H]1CCCC[C@H]1c1ccco1
InChIInChI=1S/C12H17NO2/c1-9(14)13-11-6-3-2-5-10(11)12-7-4-8-15-12/h4,7-8,10-11H,2-3,5-6H2,1H3,(H,13,14)/t10-,11+/m1/s1
InChIKeySKLQUJCJFJZBFT-MNOVXSKESA-N
MW207.27 g/mol
LogP2.44
Rot. Bonds2

About N-[(1S,2R)-2-(furan-2-yl)cyclohexyl]acetamide

N-[(1S,2R)-2-(furan-2-yl)cyclohexyl]acetamide (PubChem CID 134958195) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[(1S,2R)-2-(furan-2-yl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(furan-2-yl)cyclohexyl]acetamide
PubChem CID134958195
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-[(1S,2R)-2-(furan-2-yl)cyclohexyl]acetamide
SMILESCC(=O)N[C@H]1CCCC[C@H]1c1ccco1
InChIInChI=1S/C12H17NO2/c1-9(14)13-11-6-3-2-5-10(11)12-7-4-8-15-12/h4,7-8,10-11H,2-3,5-6H2,1H3,(H,13,14)/t10-,11+/m1/s1
InChIKeySKLQUJCJFJZBFT-MNOVXSKESA-N
XLogP2.44
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(furan-2-yl)cyclohexyl]acetamide?
The IUPAC name of N-[(1S,2R)-2-(furan-2-yl)cyclohexyl]acetamide (CID 134958195) is N-[(1S,2R)-2-(furan-2-yl)cyclohexyl]acetamide.
What is the SMILES notation for N-[(1S,2R)-2-(furan-2-yl)cyclohexyl]acetamide?
The canonical SMILES for N-[(1S,2R)-2-(furan-2-yl)cyclohexyl]acetamide is CC(=O)N[C@H]1CCCC[C@H]1c1ccco1.
What is the InChIKey of N-[(1S,2R)-2-(furan-2-yl)cyclohexyl]acetamide?
The InChIKey is SKLQUJCJFJZBFT-MNOVXSKESA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(14)13-11-6-3-2-5-10(11)12-7-4-8-15-12/h4,7-8,10-11H,2-3,5-6H2,1H3,(H,13,14)/t10-,11+/m1/s1.
What are the key properties of N-[(1S,2R)-2-(furan-2-yl)cyclohexyl]acetamide?
N-[(1S,2R)-2-(furan-2-yl)cyclohexyl]acetamide has a molecular weight of 207.27 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(furan-2-yl)cyclohexyl]acetamide is sourced from PubChem (CID 134958195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).