3-(cyclopropylmethyl)-1-methylpyrrolidin-3-ol

C9H17NO — CID 59504968

IUPAC3-(cyclopropylmethyl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(CC2CC2)C1
InChIInChI=1S/C9H17NO/c1-10-5-4-9(11,7-10)6-8-2-3-8/h8,11H,2-7H2,1H3
InChIKeyFOVWLKZROXZUMY-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.85
Rot. Bonds2

About 3-(cyclopropylmethyl)-1-methylpyrrolidin-3-ol

3-(cyclopropylmethyl)-1-methylpyrrolidin-3-ol (PubChem CID 59504968) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-1-methylpyrrolidin-3-ol
PubChem CID59504968
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-(cyclopropylmethyl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(CC2CC2)C1
InChIInChI=1S/C9H17NO/c1-10-5-4-9(11,7-10)6-8-2-3-8/h8,11H,2-7H2,1H3
InChIKeyFOVWLKZROXZUMY-UHFFFAOYSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-1-methylpyrrolidin-3-ol?
The IUPAC name of 3-(cyclopropylmethyl)-1-methylpyrrolidin-3-ol (CID 59504968) is 3-(cyclopropylmethyl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 3-(cyclopropylmethyl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for 3-(cyclopropylmethyl)-1-methylpyrrolidin-3-ol is CN1CCC(O)(CC2CC2)C1.
What is the InChIKey of 3-(cyclopropylmethyl)-1-methylpyrrolidin-3-ol?
The InChIKey is FOVWLKZROXZUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-10-5-4-9(11,7-10)6-8-2-3-8/h8,11H,2-7H2,1H3.
What are the key properties of 3-(cyclopropylmethyl)-1-methylpyrrolidin-3-ol?
3-(cyclopropylmethyl)-1-methylpyrrolidin-3-ol has a molecular weight of 155.24 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 3-(cyclopropylmethyl)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 59504968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).