N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrrole-3-carboxamide

C11H16N2O2 — CID 90747496

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrrole-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cc[nH]c1
InChIInChI=1S/C11H16N2O2/c14-10-4-2-1-3-9(10)13-11(15)8-5-6-12-7-8/h5-7,9-10,12,14H,1-4H2,(H,13,15)/t9-,10-/m1/s1
InChIKeySSJDLFOZAJUVCC-NXEZZACHSA-N
MW208.26 g/mol
LogP1.05
Rot. Bonds2

About N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrrole-3-carboxamide

N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrrole-3-carboxamide (PubChem CID 90747496) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrrole-3-carboxamide
PubChem CID90747496
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrrole-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cc[nH]c1
InChIInChI=1S/C11H16N2O2/c14-10-4-2-1-3-9(10)13-11(15)8-5-6-12-7-8/h5-7,9-10,12,14H,1-4H2,(H,13,15)/t9-,10-/m1/s1
InChIKeySSJDLFOZAJUVCC-NXEZZACHSA-N
XLogP1.05
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrrole-3-carboxamide (CID 90747496) is N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrrole-3-carboxamide is O=C(N[C@@H]1CCCC[C@H]1O)c1cc[nH]c1.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrrole-3-carboxamide?
The InChIKey is SSJDLFOZAJUVCC-NXEZZACHSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-10-4-2-1-3-9(10)13-11(15)8-5-6-12-7-8/h5-7,9-10,12,14H,1-4H2,(H,13,15)/t9-,10-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrrole-3-carboxamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrrole-3-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 90747496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).