N-(3-hydroxypropyl)-1H-pyrrole-3-carboxamide

C8H12N2O2 — CID 82468039

IUPACN-(3-hydroxypropyl)-1H-pyrrole-3-carboxamide
SMILESO=C(NCCCO)c1cc[nH]c1
InChIInChI=1S/C8H12N2O2/c11-5-1-3-10-8(12)7-2-4-9-6-7/h2,4,6,9,11H,1,3,5H2,(H,10,12)
InChIKeyJCGIQGOACQROBP-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.13
Rot. Bonds4

About N-(3-hydroxypropyl)-1H-pyrrole-3-carboxamide

N-(3-hydroxypropyl)-1H-pyrrole-3-carboxamide (PubChem CID 82468039) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-1H-pyrrole-3-carboxamide
PubChem CID82468039
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC NameN-(3-hydroxypropyl)-1H-pyrrole-3-carboxamide
SMILESO=C(NCCCO)c1cc[nH]c1
InChIInChI=1S/C8H12N2O2/c11-5-1-3-10-8(12)7-2-4-9-6-7/h2,4,6,9,11H,1,3,5H2,(H,10,12)
InChIKeyJCGIQGOACQROBP-UHFFFAOYSA-N
XLogP0.13
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-1H-pyrrole-3-carboxamide (CID 82468039) is N-(3-hydroxypropyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-1H-pyrrole-3-carboxamide is O=C(NCCCO)c1cc[nH]c1.
What is the InChIKey of N-(3-hydroxypropyl)-1H-pyrrole-3-carboxamide?
The InChIKey is JCGIQGOACQROBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c11-5-1-3-10-8(12)7-2-4-9-6-7/h2,4,6,9,11H,1,3,5H2,(H,10,12).
What are the key properties of N-(3-hydroxypropyl)-1H-pyrrole-3-carboxamide?
N-(3-hydroxypropyl)-1H-pyrrole-3-carboxamide has a molecular weight of 168.20 g/mol, XLogP of 0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 82468039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).