(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid

C10H10N2O4 — CID 115170648

IUPAC(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
SMILESCC1Oc2ccc(NC(=O)O)cc2NC1=O
InChIInChI=1S/C10H10N2O4/c1-5-9(13)12-7-4-6(11-10(14)15)2-3-8(7)16-5/h2-5,11H,1H3,(H,12,13)(H,14,15)
InChIKeyWPYMTCYOGPTATN-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.50
Rot. Bonds1

About (2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid

(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid (PubChem CID 115170648) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is (2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid.

Molecular Properties

Compound Name(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
PubChem CID115170648
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
SMILESCC1Oc2ccc(NC(=O)O)cc2NC1=O
InChIInChI=1S/C10H10N2O4/c1-5-9(13)12-7-4-6(11-10(14)15)2-3-8(7)16-5/h2-5,11H,1H3,(H,12,13)(H,14,15)
InChIKeyWPYMTCYOGPTATN-UHFFFAOYSA-N
XLogP1.50
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenylurea
CID 41291616
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 42506170
(E)-4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-4-oxobut-2-enoic acid
CID 60941117
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]cyclopropanecarboxamide
CID 9146242
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide
CID 60843067
2-methyl-2-(methylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 62836577
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]cyclopentanecarboxamide
CID 9145093
1-cyclopropyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea
CID 45029596
5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)thiophene-2-carboxamide
CID 18090671
3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)thiophene-2-carboxamide
CID 46616611
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-phenylbenzamide
CID 9145109
N-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]-2-phenylacetamide
CID 9145419

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid?
The IUPAC name of (2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid (CID 115170648) is (2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid.
What is the SMILES notation for (2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid?
The canonical SMILES for (2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid is CC1Oc2ccc(NC(=O)O)cc2NC1=O.
What is the InChIKey of (2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid?
The InChIKey is WPYMTCYOGPTATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-5-9(13)12-7-4-6(11-10(14)15)2-3-8(7)16-5/h2-5,11H,1H3,(H,12,13)(H,14,15).
What are the key properties of (2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid?
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid has a molecular weight of 222.20 g/mol, XLogP of 1.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid is sourced from PubChem (CID 115170648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).