4,4-bis(1H-pyrrol-2-yl)pentan-1-ol

C13H18N2O — CID 139078312

IUPAC4,4-bis(1H-pyrrol-2-yl)pentan-1-ol
SMILESCC(CCCO)(c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C13H18N2O/c1-13(7-4-10-16,11-5-2-8-14-11)12-6-3-9-15-12/h2-3,5-6,8-9,14-16H,4,7,10H2,1H3
InChIKeyOJZQAGBMHKVPPM-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.42
Rot. Bonds5

About 4,4-bis(1H-pyrrol-2-yl)pentan-1-ol

4,4-bis(1H-pyrrol-2-yl)pentan-1-ol (PubChem CID 139078312) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4,4-bis(1H-pyrrol-2-yl)pentan-1-ol.

Molecular Properties

Compound Name4,4-bis(1H-pyrrol-2-yl)pentan-1-ol
PubChem CID139078312
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4,4-bis(1H-pyrrol-2-yl)pentan-1-ol
SMILESCC(CCCO)(c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C13H18N2O/c1-13(7-4-10-16,11-5-2-8-14-11)12-6-3-9-15-12/h2-3,5-6,8-9,14-16H,4,7,10H2,1H3
InChIKeyOJZQAGBMHKVPPM-UHFFFAOYSA-N
XLogP2.42
TPSA51.81 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis(1H-pyrrol-2-yl)pentan-1-ol?
The IUPAC name of 4,4-bis(1H-pyrrol-2-yl)pentan-1-ol (CID 139078312) is 4,4-bis(1H-pyrrol-2-yl)pentan-1-ol.
What is the SMILES notation for 4,4-bis(1H-pyrrol-2-yl)pentan-1-ol?
The canonical SMILES for 4,4-bis(1H-pyrrol-2-yl)pentan-1-ol is CC(CCCO)(c1ccc[nH]1)c1ccc[nH]1.
What is the InChIKey of 4,4-bis(1H-pyrrol-2-yl)pentan-1-ol?
The InChIKey is OJZQAGBMHKVPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-13(7-4-10-16,11-5-2-8-14-11)12-6-3-9-15-12/h2-3,5-6,8-9,14-16H,4,7,10H2,1H3.
What are the key properties of 4,4-bis(1H-pyrrol-2-yl)pentan-1-ol?
4,4-bis(1H-pyrrol-2-yl)pentan-1-ol has a molecular weight of 218.30 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(1H-pyrrol-2-yl)pentan-1-ol is sourced from PubChem (CID 139078312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).