5-pyrrol-1-ylpentan-2-ol

C9H15NO — CID 85310978

IUPAC5-pyrrol-1-ylpentan-2-ol
SMILESCC(O)CCCn1cccc1
InChIInChI=1S/C9H15NO/c1-9(11)5-4-8-10-6-2-3-7-10/h2-3,6-7,9,11H,4-5,8H2,1H3
InChIKeyQABCDTITCQHHKG-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.65
Rot. Bonds4

About 5-pyrrol-1-ylpentan-2-ol

5-pyrrol-1-ylpentan-2-ol (PubChem CID 85310978) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 5-pyrrol-1-ylpentan-2-ol.

Molecular Properties

Compound Name5-pyrrol-1-ylpentan-2-ol
PubChem CID85310978
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name5-pyrrol-1-ylpentan-2-ol
SMILESCC(O)CCCn1cccc1
InChIInChI=1S/C9H15NO/c1-9(11)5-4-8-10-6-2-3-7-10/h2-3,6-7,9,11H,4-5,8H2,1H3
InChIKeyQABCDTITCQHHKG-UHFFFAOYSA-N
XLogP1.65
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrol-1-ylpentan-2-ol?
The IUPAC name of 5-pyrrol-1-ylpentan-2-ol (CID 85310978) is 5-pyrrol-1-ylpentan-2-ol.
What is the SMILES notation for 5-pyrrol-1-ylpentan-2-ol?
The canonical SMILES for 5-pyrrol-1-ylpentan-2-ol is CC(O)CCCn1cccc1.
What is the InChIKey of 5-pyrrol-1-ylpentan-2-ol?
The InChIKey is QABCDTITCQHHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(11)5-4-8-10-6-2-3-7-10/h2-3,6-7,9,11H,4-5,8H2,1H3.
What are the key properties of 5-pyrrol-1-ylpentan-2-ol?
5-pyrrol-1-ylpentan-2-ol has a molecular weight of 153.22 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrol-1-ylpentan-2-ol is sourced from PubChem (CID 85310978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).