8-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine

C16H24N2O — CID 83220695

IUPAC8-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine
SMILESCCC1CCC(C)N1Cc1cccc2c1OCCN2
InChIInChI=1S/C16H24N2O/c1-3-14-8-7-12(2)18(14)11-13-5-4-6-15-16(13)19-10-9-17-15/h4-6,12,14,17H,3,7-11H2,1-2H3
InChIKeyCDNDKSKWXMAPJJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.25
Rot. Bonds3

About 8-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine

8-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 83220695) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 8-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name8-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID83220695
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name8-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine
SMILESCCC1CCC(C)N1Cc1cccc2c1OCCN2
InChIInChI=1S/C16H24N2O/c1-3-14-8-7-12(2)18(14)11-13-5-4-6-15-16(13)19-10-9-17-15/h4-6,12,14,17H,3,7-11H2,1-2H3
InChIKeyCDNDKSKWXMAPJJ-UHFFFAOYSA-N
XLogP3.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 8-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine (CID 83220695) is 8-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 8-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 8-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine is CCC1CCC(C)N1Cc1cccc2c1OCCN2.
What is the InChIKey of 8-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is CDNDKSKWXMAPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-14-8-7-12(2)18(14)11-13-5-4-6-15-16(13)19-10-9-17-15/h4-6,12,14,17H,3,7-11H2,1-2H3.
What are the key properties of 8-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine?
8-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 260.38 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 83220695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).