N-[4-(2-hydroxyethyl)cyclohexyl]-1H-pyrrole-3-carboxamide

C13H20N2O2 — CID 116817217

IUPACN-[4-(2-hydroxyethyl)cyclohexyl]-1H-pyrrole-3-carboxamide
SMILESO=C(NC1CCC(CCO)CC1)c1cc[nH]c1
InChIInChI=1S/C13H20N2O2/c16-8-6-10-1-3-12(4-2-10)15-13(17)11-5-7-14-9-11/h5,7,9-10,12,14,16H,1-4,6,8H2,(H,15,17)
InChIKeyJLSRMNLBKSXPJC-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.69
Rot. Bonds4

About N-[4-(2-hydroxyethyl)cyclohexyl]-1H-pyrrole-3-carboxamide

N-[4-(2-hydroxyethyl)cyclohexyl]-1H-pyrrole-3-carboxamide (PubChem CID 116817217) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)cyclohexyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)cyclohexyl]-1H-pyrrole-3-carboxamide
PubChem CID116817217
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[4-(2-hydroxyethyl)cyclohexyl]-1H-pyrrole-3-carboxamide
SMILESO=C(NC1CCC(CCO)CC1)c1cc[nH]c1
InChIInChI=1S/C13H20N2O2/c16-8-6-10-1-3-12(4-2-10)15-13(17)11-5-7-14-9-11/h5,7,9-10,12,14,16H,1-4,6,8H2,(H,15,17)
InChIKeyJLSRMNLBKSXPJC-UHFFFAOYSA-N
XLogP1.69
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)cyclohexyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[4-(2-hydroxyethyl)cyclohexyl]-1H-pyrrole-3-carboxamide (CID 116817217) is N-[4-(2-hydroxyethyl)cyclohexyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)cyclohexyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)cyclohexyl]-1H-pyrrole-3-carboxamide is O=C(NC1CCC(CCO)CC1)c1cc[nH]c1.
What is the InChIKey of N-[4-(2-hydroxyethyl)cyclohexyl]-1H-pyrrole-3-carboxamide?
The InChIKey is JLSRMNLBKSXPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-8-6-10-1-3-12(4-2-10)15-13(17)11-5-7-14-9-11/h5,7,9-10,12,14,16H,1-4,6,8H2,(H,15,17).
What are the key properties of N-[4-(2-hydroxyethyl)cyclohexyl]-1H-pyrrole-3-carboxamide?
N-[4-(2-hydroxyethyl)cyclohexyl]-1H-pyrrole-3-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)cyclohexyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 116817217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).