(2S)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carbohydrazide

C10H11N3O3 — CID 7091030

IUPAC(2S)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carbohydrazide
SMILESC[C@]1(C(=O)NN)Oc2ccccc2NC1=O
InChIInChI=1S/C10H11N3O3/c1-10(9(15)13-11)8(14)12-6-4-2-3-5-7(6)16-10/h2-5H,11H2,1H3,(H,12,14)(H,13,15)/t10-/m0/s1
InChIKeyGGEWBVRIKVFBPN-JTQLQIEISA-N
MW221.22 g/mol
LogP-0.23
Rot. Bonds1

About (2S)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carbohydrazide

(2S)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carbohydrazide (PubChem CID 7091030) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is (2S)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carbohydrazide.

Molecular Properties

Compound Name(2S)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carbohydrazide
PubChem CID7091030
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name(2S)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carbohydrazide
SMILESC[C@]1(C(=O)NN)Oc2ccccc2NC1=O
InChIInChI=1S/C10H11N3O3/c1-10(9(15)13-11)8(14)12-6-4-2-3-5-7(6)16-10/h2-5H,11H2,1H3,(H,12,14)(H,13,15)/t10-/m0/s1
InChIKeyGGEWBVRIKVFBPN-JTQLQIEISA-N
XLogP-0.23
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 56686360
N-(1-hydroxypropan-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 155953308
N-(3-hydroxypropyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75770062
3-methyl-2-[(2-methyl-3-oxo-4H-1,4-benzoxazine-2-carbonyl)amino]butanoic acid
CID 75795802
methyl (2R)-2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carbonyl]amino]-2-phenylacetate
CID 1473076
2-methyl-3-oxo-N-(thian-4-yl)-4H-1,4-benzoxazine-2-carboxamide
CID 56686379
2-methyl-N-(1-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 56686453
N-(1,3-benzoxazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75795837
N-(4-fluoro-2-methylphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75796006
N-(4-chloro-3-methylphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75795861
2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzoxazine-2-carboxamide
CID 56730054
N-(1-ethylpyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 56686389

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carbohydrazide?
The IUPAC name of (2S)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carbohydrazide (CID 7091030) is (2S)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carbohydrazide.
What is the SMILES notation for (2S)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carbohydrazide?
The canonical SMILES for (2S)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carbohydrazide is C[C@]1(C(=O)NN)Oc2ccccc2NC1=O.
What is the InChIKey of (2S)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carbohydrazide?
The InChIKey is GGEWBVRIKVFBPN-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11N3O3/c1-10(9(15)13-11)8(14)12-6-4-2-3-5-7(6)16-10/h2-5H,11H2,1H3,(H,12,14)(H,13,15)/t10-/m0/s1.
What are the key properties of (2S)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carbohydrazide?
(2S)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carbohydrazide has a molecular weight of 221.22 g/mol, XLogP of -0.23, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carbohydrazide is sourced from PubChem (CID 7091030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).