N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-3-carboxamide

C12H21NO3 — CID 102677288

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)N[C@@H]2CCCC[C@H]2O)CO1
InChIInChI=1S/C12H21NO3/c1-8-6-9(7-16-8)12(15)13-10-4-2-3-5-11(10)14/h8-11,14H,2-7H2,1H3,(H,13,15)/t8?,9?,10-,11-/m1/s1
InChIKeyZHNNTWUKUIYVTH-JPPWEJMLSA-N
MW227.30 g/mol
LogP0.83
Rot. Bonds2

About N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-3-carboxamide

N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-3-carboxamide (PubChem CID 102677288) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-3-carboxamide
PubChem CID102677288
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)N[C@@H]2CCCC[C@H]2O)CO1
InChIInChI=1S/C12H21NO3/c1-8-6-9(7-16-8)12(15)13-10-4-2-3-5-11(10)14/h8-11,14H,2-7H2,1H3,(H,13,15)/t8?,9?,10-,11-/m1/s1
InChIKeyZHNNTWUKUIYVTH-JPPWEJMLSA-N
XLogP0.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-5-methyloxolane-3-carboxamide
CID 114826115
N-(2-cyanocyclopentyl)-5-methyloxolane-3-carboxamide
CID 114825541
N-[(1S,2S)-2-hydroxycyclooctyl]cyclopropanecarboxamide
CID 146041512
N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-2-carboxamide
CID 104927544
N-[(1R,2R)-2-hydroxycyclohexyl]cyclopent-3-ene-1-carboxamide
CID 104927999
N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 102739129
3-amino-N-(2-hydroxycyclohexyl)cyclopentane-1-carboxamide
CID 66007557
(2R)-N-[(1S,2S)-2-hydroxycyclohexyl]oxolane-2-carboxamide
CID 104956743
N-[(4-hydroxycyclohexyl)methyl]-5-methyloxolane-3-carboxamide
CID 106124593
N-(2-hydroxycyclohexyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103855439
4-amino-N-(2-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide
CID 79207326
N-[(1R,2R)-2-hydroxycyclohexyl]piperidine-3-carboxamide
CID 107222065

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-3-carboxamide (CID 102677288) is N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-3-carboxamide is CC1CC(C(=O)N[C@@H]2CCCC[C@H]2O)CO1.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-3-carboxamide?
The InChIKey is ZHNNTWUKUIYVTH-JPPWEJMLSA-N. The full InChI is InChI=1S/C12H21NO3/c1-8-6-9(7-16-8)12(15)13-10-4-2-3-5-11(10)14/h8-11,14H,2-7H2,1H3,(H,13,15)/t8?,9?,10-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-3-carboxamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-3-carboxamide has a molecular weight of 227.30 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 102677288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).