N-(1-methylpyrrolidin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

C14H19N3O2 — CID 61465097

IUPACN-(1-methylpyrrolidin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCN1CCC(NC(=O)C2CNc3ccccc3O2)C1
InChIInChI=1S/C14H19N3O2/c1-17-7-6-10(9-17)16-14(18)13-8-15-11-4-2-3-5-12(11)19-13/h2-5,10,13,15H,6-9H2,1H3,(H,16,18)
InChIKeyKMEMONFWYZVSDP-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.68
Rot. Bonds2

About N-(1-methylpyrrolidin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

N-(1-methylpyrrolidin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (PubChem CID 61465097) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
PubChem CID61465097
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(1-methylpyrrolidin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCN1CCC(NC(=O)C2CNc3ccccc3O2)C1
InChIInChI=1S/C14H19N3O2/c1-17-7-6-10(9-17)16-14(18)13-8-15-11-4-2-3-5-12(11)19-13/h2-5,10,13,15H,6-9H2,1H3,(H,16,18)
InChIKeyKMEMONFWYZVSDP-UHFFFAOYSA-N
XLogP0.68
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-(1-methylpyrrolidin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CID 61465097) is N-(1-methylpyrrolidin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-(1-methylpyrrolidin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-(1-methylpyrrolidin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is CN1CCC(NC(=O)C2CNc3ccccc3O2)C1.
What is the InChIKey of N-(1-methylpyrrolidin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The InChIKey is KMEMONFWYZVSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-17-7-6-10(9-17)16-14(18)13-8-15-11-4-2-3-5-12(11)19-13/h2-5,10,13,15H,6-9H2,1H3,(H,16,18).
What are the key properties of N-(1-methylpyrrolidin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
N-(1-methylpyrrolidin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 61465097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).