N-(cyclohexylmethyl)pyrrolidine-2-carboxamide

C12H22N2O — CID 18926474

IUPACN-(cyclohexylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCCCC1)C1CCCN1
InChIInChI=1S/C12H22N2O/c15-12(11-7-4-8-13-11)14-9-10-5-2-1-3-6-10/h10-11,13H,1-9H2,(H,14,15)
InChIKeyLLYXKTBOYKNPTF-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.43
Rot. Bonds3

About N-(cyclohexylmethyl)pyrrolidine-2-carboxamide

N-(cyclohexylmethyl)pyrrolidine-2-carboxamide (PubChem CID 18926474) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(cyclohexylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)pyrrolidine-2-carboxamide
PubChem CID18926474
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(cyclohexylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCCCC1)C1CCCN1
InChIInChI=1S/C12H22N2O/c15-12(11-7-4-8-13-11)14-9-10-5-2-1-3-6-10/h10-11,13H,1-9H2,(H,14,15)
InChIKeyLLYXKTBOYKNPTF-UHFFFAOYSA-N
XLogP1.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)pyrrolidine-2-carboxamide (CID 18926474) is N-(cyclohexylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)pyrrolidine-2-carboxamide is O=C(NCC1CCCCC1)C1CCCN1.
What is the InChIKey of N-(cyclohexylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is LLYXKTBOYKNPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c15-12(11-7-4-8-13-11)14-9-10-5-2-1-3-6-10/h10-11,13H,1-9H2,(H,14,15).
What are the key properties of N-(cyclohexylmethyl)pyrrolidine-2-carboxamide?
N-(cyclohexylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 18926474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).