3-(1-hydroxyethyl)-4-propan-2-ylazetidin-2-one

C8H15NO2 — CID 91441042

IUPAC3-(1-hydroxyethyl)-4-propan-2-ylazetidin-2-one
SMILESCC(C)C1NC(=O)C1C(C)O
InChIInChI=1S/C8H15NO2/c1-4(2)7-6(5(3)10)8(11)9-7/h4-7,10H,1-3H3,(H,9,11)
InChIKeyUXRMMBLNPFKTGW-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.14
Rot. Bonds2

About 3-(1-hydroxyethyl)-4-propan-2-ylazetidin-2-one

3-(1-hydroxyethyl)-4-propan-2-ylazetidin-2-one (PubChem CID 91441042) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-4-propan-2-ylazetidin-2-one.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-4-propan-2-ylazetidin-2-one
PubChem CID91441042
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-(1-hydroxyethyl)-4-propan-2-ylazetidin-2-one
SMILESCC(C)C1NC(=O)C1C(C)O
InChIInChI=1S/C8H15NO2/c1-4(2)7-6(5(3)10)8(11)9-7/h4-7,10H,1-3H3,(H,9,11)
InChIKeyUXRMMBLNPFKTGW-UHFFFAOYSA-N
XLogP0.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-3-Ethyl-4-(2'-hydroxyethyl)-2-azetidinone
CID 11768687
(3s,4s)-3-Ethyl-4-hydroxyethyl-azetidinone
CID 13619049
(3S,4S)-3-[(1R)-1-hydroxyethyl]-4-(2-methylpropanoyl)azetidin-2-one
CID 131020220
(3R,4S)-3-hydroxy-4-(2-methylpropyl)azetidin-2-one
CID 10012015
3-Isopropyl-4-(2-hydroxyethyl)azetidinone
CID 13051147
(3R,4R)-4-(2-hydroxyethyl)-3-propan-2-ylazetidin-2-one
CID 13051148
(3S,4R)-3-[(1R)-1-hydroxyethyl]-4-prop-2-enylazetidin-2-one
CID 13132525
4-Ethynyl-3-(1-hydroxyethyl)azetidin-2-one
CID 13219677
3-Ethyl-4-(2-hydroxyethyl)-azetidin-2-one
CID 13619047
(3R,4S)-3-ethyl-4-(2-hydroxyethyl)azetidin-2-one
CID 13619048
4-(2-Hydroxyethyl)-3-methylazetidin-2-one
CID 14328998
(3R,4S)-4-(2-hydroxyethyl)-3-methylazetidin-2-one
CID 14328999

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-4-propan-2-ylazetidin-2-one?
The IUPAC name of 3-(1-hydroxyethyl)-4-propan-2-ylazetidin-2-one (CID 91441042) is 3-(1-hydroxyethyl)-4-propan-2-ylazetidin-2-one.
What is the SMILES notation for 3-(1-hydroxyethyl)-4-propan-2-ylazetidin-2-one?
The canonical SMILES for 3-(1-hydroxyethyl)-4-propan-2-ylazetidin-2-one is CC(C)C1NC(=O)C1C(C)O.
What is the InChIKey of 3-(1-hydroxyethyl)-4-propan-2-ylazetidin-2-one?
The InChIKey is UXRMMBLNPFKTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4(2)7-6(5(3)10)8(11)9-7/h4-7,10H,1-3H3,(H,9,11).
What are the key properties of 3-(1-hydroxyethyl)-4-propan-2-ylazetidin-2-one?
3-(1-hydroxyethyl)-4-propan-2-ylazetidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-4-propan-2-ylazetidin-2-one is sourced from PubChem (CID 91441042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).