(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol

C14H20N2O2 — CID 82341357

IUPAC(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol
SMILESCC1CNc2cc(C(O)C3CCCN3)ccc2O1
InChIInChI=1S/C14H20N2O2/c1-9-8-16-12-7-10(4-5-13(12)18-9)14(17)11-3-2-6-15-11/h4-5,7,9,11,14-17H,2-3,6,8H2,1H3
InChIKeyJWFLETZNLXRMEN-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.66
Rot. Bonds2

About (2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol

(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol (PubChem CID 82341357) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol.

Molecular Properties

Compound Name(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol
PubChem CID82341357
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol
SMILESCC1CNc2cc(C(O)C3CCCN3)ccc2O1
InChIInChI=1S/C14H20N2O2/c1-9-8-16-12-7-10(4-5-13(12)18-9)14(17)11-3-2-6-15-11/h4-5,7,9,11,14-17H,2-3,6,8H2,1H3
InChIKeyJWFLETZNLXRMEN-UHFFFAOYSA-N
XLogP1.66
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol?
The IUPAC name of (2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol (CID 82341357) is (2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol.
What is the SMILES notation for (2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol?
The canonical SMILES for (2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol is CC1CNc2cc(C(O)C3CCCN3)ccc2O1.
What is the InChIKey of (2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol?
The InChIKey is JWFLETZNLXRMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-8-16-12-7-10(4-5-13(12)18-9)14(17)11-3-2-6-15-11/h4-5,7,9,11,14-17H,2-3,6,8H2,1H3.
What are the key properties of (2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol?
(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol has a molecular weight of 248.33 g/mol, XLogP of 1.66, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol is sourced from PubChem (CID 82341357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).