N-[(1-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide

C13H24N2O2 — CID 65106034

IUPACN-[(1-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)NCC2(O)CCCCC2)CCNC1
InChIInChI=1S/C13H24N2O2/c1-12(7-8-14-9-12)11(16)15-10-13(17)5-3-2-4-6-13/h14,17H,2-10H2,1H3,(H,15,16)
InChIKeyCCFSQACKTKJSNB-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.80
Rot. Bonds3

About N-[(1-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide

N-[(1-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide (PubChem CID 65106034) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide
PubChem CID65106034
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)NCC2(O)CCCCC2)CCNC1
InChIInChI=1S/C13H24N2O2/c1-12(7-8-14-9-12)11(16)15-10-13(17)5-3-2-4-6-13/h14,17H,2-10H2,1H3,(H,15,16)
InChIKeyCCFSQACKTKJSNB-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide (CID 65106034) is N-[(1-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide is CC1(C(=O)NCC2(O)CCCCC2)CCNC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide?
The InChIKey is CCFSQACKTKJSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(7-8-14-9-12)11(16)15-10-13(17)5-3-2-4-6-13/h14,17H,2-10H2,1H3,(H,15,16).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide?
N-[(1-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 0.80, 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]-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 65106034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).