2-(3,4-dihydro-2H-pyrrol-5-yl)propan-1-ol

C7H13NO — CID 176895008

IUPAC2-(3,4-dihydro-2H-pyrrol-5-yl)propan-1-ol
SMILESCC(CO)C1=NCCC1
InChIInChI=1S/C7H13NO/c1-6(5-9)7-3-2-4-8-7/h6,9H,2-5H2,1H3
InChIKeyQKHNRIHBWTZUNT-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.85
Rot. Bonds2

About 2-(3,4-dihydro-2H-pyrrol-5-yl)propan-1-ol

2-(3,4-dihydro-2H-pyrrol-5-yl)propan-1-ol (PubChem CID 176895008) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyrrol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyrrol-5-yl)propan-1-ol
PubChem CID176895008
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-(3,4-dihydro-2H-pyrrol-5-yl)propan-1-ol
SMILESCC(CO)C1=NCCC1
InChIInChI=1S/C7H13NO/c1-6(5-9)7-3-2-4-8-7/h6,9H,2-5H2,1H3
InChIKeyQKHNRIHBWTZUNT-UHFFFAOYSA-N
XLogP0.85
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyrrol-5-yl)propan-1-ol?
The IUPAC name of 2-(3,4-dihydro-2H-pyrrol-5-yl)propan-1-ol (CID 176895008) is 2-(3,4-dihydro-2H-pyrrol-5-yl)propan-1-ol.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyrrol-5-yl)propan-1-ol?
The canonical SMILES for 2-(3,4-dihydro-2H-pyrrol-5-yl)propan-1-ol is CC(CO)C1=NCCC1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyrrol-5-yl)propan-1-ol?
The InChIKey is QKHNRIHBWTZUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(5-9)7-3-2-4-8-7/h6,9H,2-5H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-pyrrol-5-yl)propan-1-ol?
2-(3,4-dihydro-2H-pyrrol-5-yl)propan-1-ol has a molecular weight of 127.19 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyrrol-5-yl)propan-1-ol is sourced from PubChem (CID 176895008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).