(4S)-4-propylazetidin-2-one

C6H11NO — CID 18603540

IUPAC(4S)-4-propylazetidin-2-one
SMILESCCC[C@H]1CC(=O)N1
InChIInChI=1S/C6H11NO/c1-2-3-5-4-6(8)7-5/h5H,2-4H2,1H3,(H,7,8)/t5-/m0/s1
InChIKeyQPJCYJIZFCJYIR-YFKPBYRVSA-N
MW113.16 g/mol
LogP0.68
Rot. Bonds2

About (4S)-4-propylazetidin-2-one

(4S)-4-propylazetidin-2-one (PubChem CID 18603540) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (4S)-4-propylazetidin-2-one.

Molecular Properties

Compound Name(4S)-4-propylazetidin-2-one
PubChem CID18603540
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(4S)-4-propylazetidin-2-one
SMILESCCC[C@H]1CC(=O)N1
InChIInChI=1S/C6H11NO/c1-2-3-5-4-6(8)7-5/h5H,2-4H2,1H3,(H,7,8)/t5-/m0/s1
InChIKeyQPJCYJIZFCJYIR-YFKPBYRVSA-N
XLogP0.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

beta-Caprolactam
CID 168076
Hexanamide, N-isopropyl
CID 528620
4-(Propan-2-yl)azetidin-2-one
CID 13741595
4-Ethylazetidin-2-one
CID 12590456
N-s-butyl caproamide
CID 4525628
N-heptan-2-ylhexanamide
CID 4641582
4-Butylazetidin-2-one
CID 12590455
(+/-)-4-Hexylazetidin-2-one
CID 20224859
4-(1,1-Difluoroethyl)azetidin-2-one
CID 89257990
(4R)-4-(1,1-difluoroethyl)azetidin-2-one
CID 89257991
4-Pentylazetidin-2-one
CID 13048242
4-Heptylazetidin-2-one
CID 13048243

Frequently Asked Questions

What is the IUPAC name of (4S)-4-propylazetidin-2-one?
The IUPAC name of (4S)-4-propylazetidin-2-one (CID 18603540) is (4S)-4-propylazetidin-2-one.
What is the SMILES notation for (4S)-4-propylazetidin-2-one?
The canonical SMILES for (4S)-4-propylazetidin-2-one is CCC[C@H]1CC(=O)N1.
What is the InChIKey of (4S)-4-propylazetidin-2-one?
The InChIKey is QPJCYJIZFCJYIR-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-3-5-4-6(8)7-5/h5H,2-4H2,1H3,(H,7,8)/t5-/m0/s1.
What are the key properties of (4S)-4-propylazetidin-2-one?
(4S)-4-propylazetidin-2-one has a molecular weight of 113.16 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propylazetidin-2-one is sourced from PubChem (CID 18603540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).