(3S)-N-carbamoyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C10H10N2O4 — CID 95354893

IUPAC(3S)-N-carbamoyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESNC(=O)NC(=O)[C@@H]1COc2ccccc2O1
InChIInChI=1S/C10H10N2O4/c11-10(14)12-9(13)8-5-15-6-3-1-2-4-7(6)16-8/h1-4,8H,5H2,(H3,11,12,13,14)/t8-/m0/s1
InChIKeyNDLBQSZRKKRYHY-QMMMGPOBSA-N
MW222.20 g/mol
LogP0.02
Rot. Bonds1

About (3S)-N-carbamoyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

(3S)-N-carbamoyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 95354893) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is (3S)-N-carbamoyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-carbamoyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID95354893
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name(3S)-N-carbamoyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESNC(=O)NC(=O)[C@@H]1COc2ccccc2O1
InChIInChI=1S/C10H10N2O4/c11-10(14)12-9(13)8-5-15-6-3-1-2-4-7(6)16-8/h1-4,8H,5H2,(H3,11,12,13,14)/t8-/m0/s1
InChIKeyNDLBQSZRKKRYHY-QMMMGPOBSA-N
XLogP0.02
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)urea
CID 60704410
[2-(carbamoylamino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 4830645
(3S)-N-(dicyclopropylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 30544549
N-(dicyclopropylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 42940632
(3S)-N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide
CID 7210185
(3S)-N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide
CID 7203782
(3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
CID 159952677
(3R)-N-cycloheptyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2176720
(3R)-N-cyclooctyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2397752
N-(fluoren-9-ylideneamino)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4205258
N-(cyclopentylideneamino)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3712198
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-oxopropanoic acid
CID 170887001

Frequently Asked Questions

What is the IUPAC name of (3S)-N-carbamoyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of (3S)-N-carbamoyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 95354893) is (3S)-N-carbamoyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for (3S)-N-carbamoyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for (3S)-N-carbamoyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is NC(=O)NC(=O)[C@@H]1COc2ccccc2O1.
What is the InChIKey of (3S)-N-carbamoyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is NDLBQSZRKKRYHY-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H10N2O4/c11-10(14)12-9(13)8-5-15-6-3-1-2-4-7(6)16-8/h1-4,8H,5H2,(H3,11,12,13,14)/t8-/m0/s1.
What are the key properties of (3S)-N-carbamoyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
(3S)-N-carbamoyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 222.20 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-carbamoyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 95354893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).