3-(1,5-dimethylpyrrolidin-2-yl)propan-1-ol

C9H19NO — CID 13152523

IUPAC3-(1,5-dimethylpyrrolidin-2-yl)propan-1-ol
SMILESCC1CCC(CCCO)N1C
InChIInChI=1S/C9H19NO/c1-8-5-6-9(10(8)2)4-3-7-11/h8-9,11H,3-7H2,1-2H3
InChIKeyGHAJJQVHOAWDGV-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.24
Rot. Bonds3

About 3-(1,5-dimethylpyrrolidin-2-yl)propan-1-ol

3-(1,5-dimethylpyrrolidin-2-yl)propan-1-ol (PubChem CID 13152523) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-(1,5-dimethylpyrrolidin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1,5-dimethylpyrrolidin-2-yl)propan-1-ol
PubChem CID13152523
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-(1,5-dimethylpyrrolidin-2-yl)propan-1-ol
SMILESCC1CCC(CCCO)N1C
InChIInChI=1S/C9H19NO/c1-8-5-6-9(10(8)2)4-3-7-11/h8-9,11H,3-7H2,1-2H3
InChIKeyGHAJJQVHOAWDGV-UHFFFAOYSA-N
XLogP1.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyrrolidin-2-yl)propan-1-ol?
The IUPAC name of 3-(1,5-dimethylpyrrolidin-2-yl)propan-1-ol (CID 13152523) is 3-(1,5-dimethylpyrrolidin-2-yl)propan-1-ol.
What is the SMILES notation for 3-(1,5-dimethylpyrrolidin-2-yl)propan-1-ol?
The canonical SMILES for 3-(1,5-dimethylpyrrolidin-2-yl)propan-1-ol is CC1CCC(CCCO)N1C.
What is the InChIKey of 3-(1,5-dimethylpyrrolidin-2-yl)propan-1-ol?
The InChIKey is GHAJJQVHOAWDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8-5-6-9(10(8)2)4-3-7-11/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 3-(1,5-dimethylpyrrolidin-2-yl)propan-1-ol?
3-(1,5-dimethylpyrrolidin-2-yl)propan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyrrolidin-2-yl)propan-1-ol is sourced from PubChem (CID 13152523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).