N-(4-carbamoylcyclohexyl)pyrrolidine-2-carboxamide

C12H21N3O2 — CID 43698357

IUPACN-(4-carbamoylcyclohexyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCC(NC(=O)C2CCCN2)CC1
InChIInChI=1S/C12H21N3O2/c13-11(16)8-3-5-9(6-4-8)15-12(17)10-2-1-7-14-10/h8-10,14H,1-7H2,(H2,13,16)(H,15,17)
InChIKeyQOIBFOJQISWBRG-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.10
Rot. Bonds3

About N-(4-carbamoylcyclohexyl)pyrrolidine-2-carboxamide

N-(4-carbamoylcyclohexyl)pyrrolidine-2-carboxamide (PubChem CID 43698357) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(4-carbamoylcyclohexyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylcyclohexyl)pyrrolidine-2-carboxamide
PubChem CID43698357
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(4-carbamoylcyclohexyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCC(NC(=O)C2CCCN2)CC1
InChIInChI=1S/C12H21N3O2/c13-11(16)8-3-5-9(6-4-8)15-12(17)10-2-1-7-14-10/h8-10,14H,1-7H2,(H2,13,16)(H,15,17)
InChIKeyQOIBFOJQISWBRG-UHFFFAOYSA-N
XLogP-0.10
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylcyclohexyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-carbamoylcyclohexyl)pyrrolidine-2-carboxamide (CID 43698357) is N-(4-carbamoylcyclohexyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-carbamoylcyclohexyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-carbamoylcyclohexyl)pyrrolidine-2-carboxamide is NC(=O)C1CCC(NC(=O)C2CCCN2)CC1.
What is the InChIKey of N-(4-carbamoylcyclohexyl)pyrrolidine-2-carboxamide?
The InChIKey is QOIBFOJQISWBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c13-11(16)8-3-5-9(6-4-8)15-12(17)10-2-1-7-14-10/h8-10,14H,1-7H2,(H2,13,16)(H,15,17).
What are the key properties of N-(4-carbamoylcyclohexyl)pyrrolidine-2-carboxamide?
N-(4-carbamoylcyclohexyl)pyrrolidine-2-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylcyclohexyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 43698357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).