1-(1-methylpyrrolidin-3-yl)butan-1-ol

C9H19NO — CID 134409861

IUPAC1-(1-methylpyrrolidin-3-yl)butan-1-ol
SMILESCCCC(O)C1CCN(C)C1
InChIInChI=1S/C9H19NO/c1-3-4-9(11)8-5-6-10(2)7-8/h8-9,11H,3-7H2,1-2H3
InChIKeyJDWXUSRKQQWWLH-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.10
Rot. Bonds3

About 1-(1-methylpyrrolidin-3-yl)butan-1-ol

1-(1-methylpyrrolidin-3-yl)butan-1-ol (PubChem CID 134409861) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-3-yl)butan-1-ol.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-3-yl)butan-1-ol
PubChem CID134409861
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-(1-methylpyrrolidin-3-yl)butan-1-ol
SMILESCCCC(O)C1CCN(C)C1
InChIInChI=1S/C9H19NO/c1-3-4-9(11)8-5-6-10(2)7-8/h8-9,11H,3-7H2,1-2H3
InChIKeyJDWXUSRKQQWWLH-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolidin-3-yl)butan-1-ol?
The IUPAC name of 1-(1-methylpyrrolidin-3-yl)butan-1-ol (CID 134409861) is 1-(1-methylpyrrolidin-3-yl)butan-1-ol.
What is the SMILES notation for 1-(1-methylpyrrolidin-3-yl)butan-1-ol?
The canonical SMILES for 1-(1-methylpyrrolidin-3-yl)butan-1-ol is CCCC(O)C1CCN(C)C1.
What is the InChIKey of 1-(1-methylpyrrolidin-3-yl)butan-1-ol?
The InChIKey is JDWXUSRKQQWWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-4-9(11)8-5-6-10(2)7-8/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 1-(1-methylpyrrolidin-3-yl)butan-1-ol?
1-(1-methylpyrrolidin-3-yl)butan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolidin-3-yl)butan-1-ol is sourced from PubChem (CID 134409861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).