3-(2-methylpyrrolidin-2-yl)propan-1-ol

C8H17NO — CID 71757782

IUPAC3-(2-methylpyrrolidin-2-yl)propan-1-ol
SMILESCC1(CCCO)CCCN1
InChIInChI=1S/C8H17NO/c1-8(5-3-7-10)4-2-6-9-8/h9-10H,2-7H2,1H3
InChIKeyURVMAVWYKUWGMW-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.90
Rot. Bonds3

About 3-(2-methylpyrrolidin-2-yl)propan-1-ol

3-(2-methylpyrrolidin-2-yl)propan-1-ol (PubChem CID 71757782) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-(2-methylpyrrolidin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-methylpyrrolidin-2-yl)propan-1-ol
PubChem CID71757782
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-(2-methylpyrrolidin-2-yl)propan-1-ol
SMILESCC1(CCCO)CCCN1
InChIInChI=1S/C8H17NO/c1-8(5-3-7-10)4-2-6-9-8/h9-10H,2-7H2,1H3
InChIKeyURVMAVWYKUWGMW-UHFFFAOYSA-N
XLogP0.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrrolidin-2-yl)propan-1-ol?
The IUPAC name of 3-(2-methylpyrrolidin-2-yl)propan-1-ol (CID 71757782) is 3-(2-methylpyrrolidin-2-yl)propan-1-ol.
What is the SMILES notation for 3-(2-methylpyrrolidin-2-yl)propan-1-ol?
The canonical SMILES for 3-(2-methylpyrrolidin-2-yl)propan-1-ol is CC1(CCCO)CCCN1.
What is the InChIKey of 3-(2-methylpyrrolidin-2-yl)propan-1-ol?
The InChIKey is URVMAVWYKUWGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(5-3-7-10)4-2-6-9-8/h9-10H,2-7H2,1H3.
What are the key properties of 3-(2-methylpyrrolidin-2-yl)propan-1-ol?
3-(2-methylpyrrolidin-2-yl)propan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrrolidin-2-yl)propan-1-ol is sourced from PubChem (CID 71757782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).