N-(1H-pyrrol-3-yl)cyclohexanecarboxamide

C11H16N2O — CID 174639217

IUPACN-(1H-pyrrol-3-yl)cyclohexanecarboxamide
SMILESO=C(Nc1cc[nH]c1)C1CCCCC1
InChIInChI=1S/C11H16N2O/c14-11(9-4-2-1-3-5-9)13-10-6-7-12-8-10/h6-9,12H,1-5H2,(H,13,14)
InChIKeyLTWYYSFDJUGMJW-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.53
Rot. Bonds2

About N-(1H-pyrrol-3-yl)cyclohexanecarboxamide

N-(1H-pyrrol-3-yl)cyclohexanecarboxamide (PubChem CID 174639217) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-(1H-pyrrol-3-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1H-pyrrol-3-yl)cyclohexanecarboxamide
PubChem CID174639217
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-(1H-pyrrol-3-yl)cyclohexanecarboxamide
SMILESO=C(Nc1cc[nH]c1)C1CCCCC1
InChIInChI=1S/C11H16N2O/c14-11(9-4-2-1-3-5-9)13-10-6-7-12-8-10/h6-9,12H,1-5H2,(H,13,14)
InChIKeyLTWYYSFDJUGMJW-UHFFFAOYSA-N
XLogP2.53
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-3-yl)cyclohexanecarboxamide?
The IUPAC name of N-(1H-pyrrol-3-yl)cyclohexanecarboxamide (CID 174639217) is N-(1H-pyrrol-3-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(1H-pyrrol-3-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(1H-pyrrol-3-yl)cyclohexanecarboxamide is O=C(Nc1cc[nH]c1)C1CCCCC1.
What is the InChIKey of N-(1H-pyrrol-3-yl)cyclohexanecarboxamide?
The InChIKey is LTWYYSFDJUGMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c14-11(9-4-2-1-3-5-9)13-10-6-7-12-8-10/h6-9,12H,1-5H2,(H,13,14).
What are the key properties of N-(1H-pyrrol-3-yl)cyclohexanecarboxamide?
N-(1H-pyrrol-3-yl)cyclohexanecarboxamide has a molecular weight of 192.26 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-3-yl)cyclohexanecarboxamide is sourced from PubChem (CID 174639217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).