(4R)-4-prop-1-ynyl-1,3-oxazinan-2-one

C7H9NO2 — CID 162411732

IUPAC(4R)-4-prop-1-ynyl-1,3-oxazinan-2-one
SMILESCC#C[C@H]1CCOC(=O)N1
InChIInChI=1S/C7H9NO2/c1-2-3-6-4-5-10-7(9)8-6/h6H,4-5H2,1H3,(H,8,9)/t6-/m0/s1
InChIKeyPNTNHPIYIHABER-LURJTMIESA-N
MW139.15 g/mol
LogP0.51
Rot. Bonds

About (4R)-4-prop-1-ynyl-1,3-oxazinan-2-one

(4R)-4-prop-1-ynyl-1,3-oxazinan-2-one (PubChem CID 162411732) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is (4R)-4-prop-1-ynyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R)-4-prop-1-ynyl-1,3-oxazinan-2-one
PubChem CID162411732
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name(4R)-4-prop-1-ynyl-1,3-oxazinan-2-one
SMILESCC#C[C@H]1CCOC(=O)N1
InChIInChI=1S/C7H9NO2/c1-2-3-6-4-5-10-7(9)8-6/h6H,4-5H2,1H3,(H,8,9)/t6-/m0/s1
InChIKeyPNTNHPIYIHABER-LURJTMIESA-N
XLogP0.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (4R)-4-prop-1-ynyl-1,3-oxazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-methyl-1,3-oxazinan-2-one
CID 118600767
(4S)-4-methyl-1,3-oxazinan-2-one
CID 177801697
4-(Fluoromethyl)-1,3-oxazinan-2-one
CID 118288677
(4R)-4-ethyl-1,3-oxazinan-2-one
CID 162410726
4-Methyl-1,3-oxazinan-2-one
CID 12202794
ethyl N-but-3-yn-2-ylcarbamate
CID 53689752
4-(Methoxymethyl)-1,3-oxazinan-2-one
CID 67452181
butyl N-but-3-yn-2-ylcarbamate
CID 90422356
Ethane;1,3-oxazinan-2-one
CID 90877798
1,3-Oxazinan-2-one;propane
CID 90909339
4-Ethynyl-1,3-oxazinan-2-one
CID 123418488
methyl N-[(2S)-4-methoxybutan-2-yl]carbamate
CID 151903056

Frequently Asked Questions

What is the IUPAC name of (4R)-4-prop-1-ynyl-1,3-oxazinan-2-one?
The IUPAC name of (4R)-4-prop-1-ynyl-1,3-oxazinan-2-one (CID 162411732) is (4R)-4-prop-1-ynyl-1,3-oxazinan-2-one.
What is the SMILES notation for (4R)-4-prop-1-ynyl-1,3-oxazinan-2-one?
The canonical SMILES for (4R)-4-prop-1-ynyl-1,3-oxazinan-2-one is CC#C[C@H]1CCOC(=O)N1.
What is the InChIKey of (4R)-4-prop-1-ynyl-1,3-oxazinan-2-one?
The InChIKey is PNTNHPIYIHABER-LURJTMIESA-N. The full InChI is InChI=1S/C7H9NO2/c1-2-3-6-4-5-10-7(9)8-6/h6H,4-5H2,1H3,(H,8,9)/t6-/m0/s1.
What are the key properties of (4R)-4-prop-1-ynyl-1,3-oxazinan-2-one?
(4R)-4-prop-1-ynyl-1,3-oxazinan-2-one has a molecular weight of 139.15 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-prop-1-ynyl-1,3-oxazinan-2-one is sourced from PubChem (CID 162411732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).