1-(1-methylpyrrolidin-2-yl)butan-2-ol

C9H19NO — CID 89022309

IUPAC1-(1-methylpyrrolidin-2-yl)butan-2-ol
SMILESCCC(O)CC1CCCN1C
InChIInChI=1S/C9H19NO/c1-3-9(11)7-8-5-4-6-10(8)2/h8-9,11H,3-7H2,1-2H3
InChIKeyIHYMLFSZYGRVAA-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.24
Rot. Bonds3

About 1-(1-methylpyrrolidin-2-yl)butan-2-ol

1-(1-methylpyrrolidin-2-yl)butan-2-ol (PubChem CID 89022309) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-2-yl)butan-2-ol.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-2-yl)butan-2-ol
PubChem CID89022309
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-(1-methylpyrrolidin-2-yl)butan-2-ol
SMILESCCC(O)CC1CCCN1C
InChIInChI=1S/C9H19NO/c1-3-9(11)7-8-5-4-6-10(8)2/h8-9,11H,3-7H2,1-2H3
InChIKeyIHYMLFSZYGRVAA-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 1-(1-methylpyrrolidin-2-yl)butan-2-ol?
The IUPAC name of 1-(1-methylpyrrolidin-2-yl)butan-2-ol (CID 89022309) is 1-(1-methylpyrrolidin-2-yl)butan-2-ol.
What is the SMILES notation for 1-(1-methylpyrrolidin-2-yl)butan-2-ol?
The canonical SMILES for 1-(1-methylpyrrolidin-2-yl)butan-2-ol is CCC(O)CC1CCCN1C.
What is the InChIKey of 1-(1-methylpyrrolidin-2-yl)butan-2-ol?
The InChIKey is IHYMLFSZYGRVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-9(11)7-8-5-4-6-10(8)2/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 1-(1-methylpyrrolidin-2-yl)butan-2-ol?
1-(1-methylpyrrolidin-2-yl)butan-2-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 1-(1-methylpyrrolidin-2-yl)butan-2-ol is sourced from PubChem (CID 89022309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).