(2R)-2-propan-2-yl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine

C11H16N2O — CID 146423603

IUPAC(2R)-2-propan-2-yl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine
SMILESCC(C)[C@@H]1CNCc2ncccc2O1
InChIInChI=1S/C11H16N2O/c1-8(2)11-7-12-6-9-10(14-11)4-3-5-13-9/h3-5,8,11-12H,6-7H2,1-2H3/t11-/m0/s1
InChIKeyNTGQNWJEFHOUIR-NSHDSACASA-N
MW192.26 g/mol
LogP1.59
Rot. Bonds1

About (2R)-2-propan-2-yl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine

(2R)-2-propan-2-yl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine (PubChem CID 146423603) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (2R)-2-propan-2-yl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine.

Molecular Properties

Compound Name(2R)-2-propan-2-yl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine
PubChem CID146423603
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(2R)-2-propan-2-yl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine
SMILESCC(C)[C@@H]1CNCc2ncccc2O1
InChIInChI=1S/C11H16N2O/c1-8(2)11-7-12-6-9-10(14-11)4-3-5-13-9/h3-5,8,11-12H,6-7H2,1-2H3/t11-/m0/s1
InChIKeyNTGQNWJEFHOUIR-NSHDSACASA-N
XLogP1.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-propan-2-yl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine?
The IUPAC name of (2R)-2-propan-2-yl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine (CID 146423603) is (2R)-2-propan-2-yl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine.
What is the SMILES notation for (2R)-2-propan-2-yl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine?
The canonical SMILES for (2R)-2-propan-2-yl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine is CC(C)[C@@H]1CNCc2ncccc2O1.
What is the InChIKey of (2R)-2-propan-2-yl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine?
The InChIKey is NTGQNWJEFHOUIR-NSHDSACASA-N. The full InChI is InChI=1S/C11H16N2O/c1-8(2)11-7-12-6-9-10(14-11)4-3-5-13-9/h3-5,8,11-12H,6-7H2,1-2H3/t11-/m0/s1.
What are the key properties of (2R)-2-propan-2-yl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine?
(2R)-2-propan-2-yl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine has a molecular weight of 192.26 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-propan-2-yl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine is sourced from PubChem (CID 146423603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).