N-[(1-hydroxycyclohexyl)methyl]-2-methylpyrrolidine-2-carboxamide

C13H24N2O2 — CID 65106651

IUPACN-[(1-hydroxycyclohexyl)methyl]-2-methylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)NCC2(O)CCCCC2)CCCN1
InChIInChI=1S/C13H24N2O2/c1-12(6-5-9-15-12)11(16)14-10-13(17)7-3-2-4-8-13/h15,17H,2-10H2,1H3,(H,14,16)
InChIKeyIOFLEHRLVFLIAO-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.94
Rot. Bonds3

About N-[(1-hydroxycyclohexyl)methyl]-2-methylpyrrolidine-2-carboxamide

N-[(1-hydroxycyclohexyl)methyl]-2-methylpyrrolidine-2-carboxamide (PubChem CID 65106651) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-2-methylpyrrolidine-2-carboxamide
PubChem CID65106651
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-2-methylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)NCC2(O)CCCCC2)CCCN1
InChIInChI=1S/C13H24N2O2/c1-12(6-5-9-15-12)11(16)14-10-13(17)7-3-2-4-8-13/h15,17H,2-10H2,1H3,(H,14,16)
InChIKeyIOFLEHRLVFLIAO-UHFFFAOYSA-N
XLogP0.94
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide
CID 104596903
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide
CID 104596904
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-2-carboxamide
CID 106101397
1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 104597132
2-[1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 104596692
N-[(1-hydroxycycloheptyl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106975355
N-but-3-ynyl-2-methylpiperidine-2-carboxamide
CID 104596852
N-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxamide
CID 126976149
2-methyl-N-[(2-methylcyclohexyl)methyl]piperidine-2-carboxamide
CID 113368609
N-(2,3-dihydroxypropyl)-2-methylpyrrolidine-2-carboxamide
CID 66169338
N-(3-hydroxy-2-methylpropyl)-2-methylpyrrolidine-2-carboxamide
CID 65036100
N-[(2,2-dimethylcyclopropyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 103822228

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-methylpyrrolidine-2-carboxamide (CID 65106651) is N-[(1-hydroxycyclohexyl)methyl]-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-2-methylpyrrolidine-2-carboxamide is CC1(C(=O)NCC2(O)CCCCC2)CCCN1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-2-methylpyrrolidine-2-carboxamide?
The InChIKey is IOFLEHRLVFLIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(6-5-9-15-12)11(16)14-10-13(17)7-3-2-4-8-13/h15,17H,2-10H2,1H3,(H,14,16).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-2-methylpyrrolidine-2-carboxamide?
N-[(1-hydroxycyclohexyl)methyl]-2-methylpyrrolidine-2-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 65106651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).