1,1-bis(1H-pyrrol-2-yl)propan-1-ol

C11H14N2O — CID 70449825

IUPAC1,1-bis(1H-pyrrol-2-yl)propan-1-ol
SMILESCCC(O)(c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C11H14N2O/c1-2-11(14,9-5-3-7-12-9)10-6-4-8-13-10/h3-8,12-14H,2H2,1H3
InChIKeyQLKHDVDYLBLOSA-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.99
Rot. Bonds3

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

1,1-bis(1H-pyrrol-2-yl)propan-1-ol (PubChem CID 70449825) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1,1-bis(1H-pyrrol-2-yl)propan-1-ol.

Molecular Properties

Compound Name1,1-bis(1H-pyrrol-2-yl)propan-1-ol
PubChem CID70449825
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1,1-bis(1H-pyrrol-2-yl)propan-1-ol
SMILESCCC(O)(c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C11H14N2O/c1-2-11(14,9-5-3-7-12-9)10-6-4-8-13-10/h3-8,12-14H,2H2,1H3
InChIKeyQLKHDVDYLBLOSA-UHFFFAOYSA-N
XLogP1.99
TPSA51.81 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 116861575
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2-methyl-2-(1H-pyrrol-2-yl)propane-1-thiol
CID 116866465
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CID 173176306
dinaphthalen-1-yl(1H-pyrrol-2-yl)methanol
CID 141216963
2-[2-(1H-pyrrol-3-yl)propan-2-yl]-1H-pyrrole
CID 134968022
(2R)-2-amino-2-(1H-pyrrol-2-yl)propanoic acid
CID 130971072
1-cyclopropyl-1,2-bis(1H-pyrrol-2-yl)ethanol
CID 57002372
[3-ethyl-1-hydroxy-6-phenyl-1-phosphono-3-(1H-pyrrol-2-yl)hexyl]phosphonic acid
CID 57256807
(2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-ol
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CID 174858836

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(1H-pyrrol-2-yl)propan-1-ol?
The IUPAC name of 1,1-bis(1H-pyrrol-2-yl)propan-1-ol (CID 70449825) is 1,1-bis(1H-pyrrol-2-yl)propan-1-ol.
What is the SMILES notation for 1,1-bis(1H-pyrrol-2-yl)propan-1-ol?
The canonical SMILES for 1,1-bis(1H-pyrrol-2-yl)propan-1-ol is CCC(O)(c1ccc[nH]1)c1ccc[nH]1.
What is the InChIKey of 1,1-bis(1H-pyrrol-2-yl)propan-1-ol?
The InChIKey is QLKHDVDYLBLOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-11(14,9-5-3-7-12-9)10-6-4-8-13-10/h3-8,12-14H,2H2,1H3.
What are the key properties of 1,1-bis(1H-pyrrol-2-yl)propan-1-ol?
1,1-bis(1H-pyrrol-2-yl)propan-1-ol has a molecular weight of 190.25 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(1H-pyrrol-2-yl)propan-1-ol is sourced from PubChem (CID 70449825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).