1-(2-methylpropyl)-4-propan-2-ylazetidin-2-one

C10H19NO — CID 139319757

IUPAC1-(2-methylpropyl)-4-propan-2-ylazetidin-2-one
SMILESCC(C)CN1C(=O)CC1C(C)C
InChIInChI=1S/C10H19NO/c1-7(2)6-11-9(8(3)4)5-10(11)12/h7-9H,5-6H2,1-4H3
InChIKeyQMKPDZKMWUKDMF-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.90
Rot. Bonds3

About 1-(2-methylpropyl)-4-propan-2-ylazetidin-2-one

1-(2-methylpropyl)-4-propan-2-ylazetidin-2-one (PubChem CID 139319757) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-propan-2-ylazetidin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-propan-2-ylazetidin-2-one
PubChem CID139319757
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(2-methylpropyl)-4-propan-2-ylazetidin-2-one
SMILESCC(C)CN1C(=O)CC1C(C)C
InChIInChI=1S/C10H19NO/c1-7(2)6-11-9(8(3)4)5-10(11)12/h7-9H,5-6H2,1-4H3
InChIKeyQMKPDZKMWUKDMF-UHFFFAOYSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-propan-2-ylazetidin-2-one?
The IUPAC name of 1-(2-methylpropyl)-4-propan-2-ylazetidin-2-one (CID 139319757) is 1-(2-methylpropyl)-4-propan-2-ylazetidin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-4-propan-2-ylazetidin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-4-propan-2-ylazetidin-2-one is CC(C)CN1C(=O)CC1C(C)C.
What is the InChIKey of 1-(2-methylpropyl)-4-propan-2-ylazetidin-2-one?
The InChIKey is QMKPDZKMWUKDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)6-11-9(8(3)4)5-10(11)12/h7-9H,5-6H2,1-4H3.
What are the key properties of 1-(2-methylpropyl)-4-propan-2-ylazetidin-2-one?
1-(2-methylpropyl)-4-propan-2-ylazetidin-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-propan-2-ylazetidin-2-one is sourced from PubChem (CID 139319757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).