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

C12H21NO3 — CID 104927544

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)N[C@@H]2CCCC[C@H]2O)O1
InChIInChI=1S/C12H21NO3/c1-8-6-7-11(16-8)12(15)13-9-4-2-3-5-10(9)14/h8-11,14H,2-7H2,1H3,(H,13,15)/t8?,9-,10-,11?/m1/s1
InChIKeyBWOVJLLBZKAVRX-WYNUPADASA-N
MW227.30 g/mol
LogP0.97
Rot. Bonds2

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

N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-2-carboxamide (PubChem CID 104927544) 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-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-2-carboxamide
PubChem CID104927544
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)N[C@@H]2CCCC[C@H]2O)O1
InChIInChI=1S/C12H21NO3/c1-8-6-7-11(16-8)12(15)13-9-4-2-3-5-10(9)14/h8-11,14H,2-7H2,1H3,(H,13,15)/t8?,9-,10-,11?/m1/s1
InChIKeyBWOVJLLBZKAVRX-WYNUPADASA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-2-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-2-carboxamide (CID 104927544) is N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-2-carboxamide is CC1CCC(C(=O)N[C@@H]2CCCC[C@H]2O)O1.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-2-carboxamide?
The InChIKey is BWOVJLLBZKAVRX-WYNUPADASA-N. The full InChI is InChI=1S/C12H21NO3/c1-8-6-7-11(16-8)12(15)13-9-4-2-3-5-10(9)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-2-carboxamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-2-carboxamide has a molecular weight of 227.30 g/mol, XLogP of 0.97, 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-2-carboxamide is sourced from PubChem (CID 104927544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).