(3-prop-2-enyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-yl)methanol

C12H21NO2 — CID 90916507

IUPAC(3-prop-2-enyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-yl)methanol
SMILESC=CCN1CC2CCCCC2OC1CO
InChIInChI=1S/C12H21NO2/c1-2-7-13-8-10-5-3-4-6-11(10)15-12(13)9-14/h2,10-12,14H,1,3-9H2
InChIKeyYWILDSREPOBPKC-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.38
Rot. Bonds3

About (3-prop-2-enyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-yl)methanol

(3-prop-2-enyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-yl)methanol (PubChem CID 90916507) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (3-prop-2-enyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-yl)methanol.

Molecular Properties

Compound Name(3-prop-2-enyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-yl)methanol
PubChem CID90916507
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(3-prop-2-enyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-yl)methanol
SMILESC=CCN1CC2CCCCC2OC1CO
InChIInChI=1S/C12H21NO2/c1-2-7-13-8-10-5-3-4-6-11(10)15-12(13)9-14/h2,10-12,14H,1,3-9H2
InChIKeyYWILDSREPOBPKC-UHFFFAOYSA-N
XLogP1.38
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-prop-2-enyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-yl)methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-prop-2-enyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-yl)methanol?
The IUPAC name of (3-prop-2-enyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-yl)methanol (CID 90916507) is (3-prop-2-enyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-yl)methanol.
What is the SMILES notation for (3-prop-2-enyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-yl)methanol?
The canonical SMILES for (3-prop-2-enyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-yl)methanol is C=CCN1CC2CCCCC2OC1CO.
What is the InChIKey of (3-prop-2-enyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-yl)methanol?
The InChIKey is YWILDSREPOBPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-7-13-8-10-5-3-4-6-11(10)15-12(13)9-14/h2,10-12,14H,1,3-9H2.
What are the key properties of (3-prop-2-enyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-yl)methanol?
(3-prop-2-enyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-yl)methanol has a molecular weight of 211.30 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-prop-2-enyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-yl)methanol is sourced from PubChem (CID 90916507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).