3-cyclopentyl-1H-pyrrole;formamide

C10H16N2O — CID 174651170

IUPAC3-cyclopentyl-1H-pyrrole;formamide
SMILESNC=O.c1cc(C2CCCC2)c[nH]1
InChIInChI=1S/C9H13N.CH3NO/c1-2-4-8(3-1)9-5-6-10-7-9;2-1-3/h5-8,10H,1-4H2;1H,(H2,2,3)
InChIKeySHWGEAATQXTZEM-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.77
Rot. Bonds1

About 3-cyclopentyl-1H-pyrrole;formamide

3-cyclopentyl-1H-pyrrole;formamide (PubChem CID 174651170) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-cyclopentyl-1H-pyrrole;formamide.

Molecular Properties

Compound Name3-cyclopentyl-1H-pyrrole;formamide
PubChem CID174651170
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-cyclopentyl-1H-pyrrole;formamide
SMILESNC=O.c1cc(C2CCCC2)c[nH]1
InChIInChI=1S/C9H13N.CH3NO/c1-2-4-8(3-1)9-5-6-10-7-9;2-1-3/h5-8,10H,1-4H2;1H,(H2,2,3)
InChIKeySHWGEAATQXTZEM-UHFFFAOYSA-N
XLogP1.77
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1H-pyrrole;formamide?
The IUPAC name of 3-cyclopentyl-1H-pyrrole;formamide (CID 174651170) is 3-cyclopentyl-1H-pyrrole;formamide.
What is the SMILES notation for 3-cyclopentyl-1H-pyrrole;formamide?
The canonical SMILES for 3-cyclopentyl-1H-pyrrole;formamide is NC=O.c1cc(C2CCCC2)c[nH]1.
What is the InChIKey of 3-cyclopentyl-1H-pyrrole;formamide?
The InChIKey is SHWGEAATQXTZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.CH3NO/c1-2-4-8(3-1)9-5-6-10-7-9;2-1-3/h5-8,10H,1-4H2;1H,(H2,2,3).
What are the key properties of 3-cyclopentyl-1H-pyrrole;formamide?
3-cyclopentyl-1H-pyrrole;formamide has a molecular weight of 180.25 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1H-pyrrole;formamide is sourced from PubChem (CID 174651170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).