1-methylpyrrolidin-2-one;propan-1-ol

C8H17NO2 — CID 22151758

IUPAC1-methylpyrrolidin-2-one;propan-1-ol
SMILESCCCO.CN1CCCC1=O
InChIInChI=1S/C5H9NO.C3H8O/c1-6-4-2-3-5(6)7;1-2-3-4/h2-4H2,1H3;4H,2-3H2,1H3
InChIKeyAHORDIWXQNKXEY-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.63
Rot. Bonds1

About 1-methylpyrrolidin-2-one;propan-1-ol

1-methylpyrrolidin-2-one;propan-1-ol (PubChem CID 22151758) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-methylpyrrolidin-2-one;propan-1-ol.

Molecular Properties

Compound Name1-methylpyrrolidin-2-one;propan-1-ol
PubChem CID22151758
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name1-methylpyrrolidin-2-one;propan-1-ol
SMILESCCCO.CN1CCCC1=O
InChIInChI=1S/C5H9NO.C3H8O/c1-6-4-2-3-5(6)7;1-2-3-4/h2-4H2,1H3;4H,2-3H2,1H3
InChIKeyAHORDIWXQNKXEY-UHFFFAOYSA-N
XLogP0.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidin-2-one;propan-1-ol?
The IUPAC name of 1-methylpyrrolidin-2-one;propan-1-ol (CID 22151758) is 1-methylpyrrolidin-2-one;propan-1-ol.
What is the SMILES notation for 1-methylpyrrolidin-2-one;propan-1-ol?
The canonical SMILES for 1-methylpyrrolidin-2-one;propan-1-ol is CCCO.CN1CCCC1=O.
What is the InChIKey of 1-methylpyrrolidin-2-one;propan-1-ol?
The InChIKey is AHORDIWXQNKXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C3H8O/c1-6-4-2-3-5(6)7;1-2-3-4/h2-4H2,1H3;4H,2-3H2,1H3.
What are the key properties of 1-methylpyrrolidin-2-one;propan-1-ol?
1-methylpyrrolidin-2-one;propan-1-ol has a molecular weight of 159.23 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidin-2-one;propan-1-ol is sourced from PubChem (CID 22151758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).