(2R)-1,2-dihydrobenzo[e][1]benzofuran-2-carbohydrazide

C13H12N2O2 — CID 6933934

IUPAC(2R)-1,2-dihydrobenzo[e][1]benzofuran-2-carbohydrazide
SMILESNNC(=O)[C@H]1Cc2c(ccc3ccccc23)O1
InChIInChI=1S/C13H12N2O2/c14-15-13(16)12-7-10-9-4-2-1-3-8(9)5-6-11(10)17-12/h1-6,12H,7,14H2,(H,15,16)/t12-/m1/s1
InChIKeyJGYWCTCNNDFZDQ-GFCCVEGCSA-N
MW228.25 g/mol
LogP1.13
Rot. Bonds1

About (2R)-1,2-dihydrobenzo[e][1]benzofuran-2-carbohydrazide

(2R)-1,2-dihydrobenzo[e][1]benzofuran-2-carbohydrazide (PubChem CID 6933934) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is (2R)-1,2-dihydrobenzo[e][1]benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name(2R)-1,2-dihydrobenzo[e][1]benzofuran-2-carbohydrazide
PubChem CID6933934
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name(2R)-1,2-dihydrobenzo[e][1]benzofuran-2-carbohydrazide
SMILESNNC(=O)[C@H]1Cc2c(ccc3ccccc23)O1
InChIInChI=1S/C13H12N2O2/c14-15-13(16)12-7-10-9-4-2-1-3-8(9)5-6-11(10)17-12/h1-6,12H,7,14H2,(H,15,16)/t12-/m1/s1
InChIKeyJGYWCTCNNDFZDQ-GFCCVEGCSA-N
XLogP1.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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-(2-chloroethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide
CID 3472985
(4-bromophenyl)-[(2S)-1,2-dihydrobenzo[e][1]benzofuran-2-yl]methanone
CID 162647542
N-(3-imidazol-1-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide
CID 4637422
[(2R)-1,2-dihydrobenzo[e][1]benzofuran-2-yl]-(1-phenylimidazol-2-yl)methanone
CID 51036319
N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide;2,2,2-trifluoroacetic acid
CID 117074334
2-benzyl-1,2-dihydrobenzo[e][1]benzofuran
CID 13432982
2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one;ethane
CID 123143178
(2R)-4-benzoyl-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide
CID 100595292
2-(2,3-dihydro-1H-benzo[f]chromen-3-yl)benzoic acid
CID 56687022
(2S)-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carbohydrazide
CID 1485704
(2R)-5-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26811005
(2S)-4-(2-phenylacetyl)-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide
CID 100595132

Frequently Asked Questions

What is the IUPAC name of (2R)-1,2-dihydrobenzo[e][1]benzofuran-2-carbohydrazide?
The IUPAC name of (2R)-1,2-dihydrobenzo[e][1]benzofuran-2-carbohydrazide (CID 6933934) is (2R)-1,2-dihydrobenzo[e][1]benzofuran-2-carbohydrazide.
What is the SMILES notation for (2R)-1,2-dihydrobenzo[e][1]benzofuran-2-carbohydrazide?
The canonical SMILES for (2R)-1,2-dihydrobenzo[e][1]benzofuran-2-carbohydrazide is NNC(=O)[C@H]1Cc2c(ccc3ccccc23)O1.
What is the InChIKey of (2R)-1,2-dihydrobenzo[e][1]benzofuran-2-carbohydrazide?
The InChIKey is JGYWCTCNNDFZDQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H12N2O2/c14-15-13(16)12-7-10-9-4-2-1-3-8(9)5-6-11(10)17-12/h1-6,12H,7,14H2,(H,15,16)/t12-/m1/s1.
What are the key properties of (2R)-1,2-dihydrobenzo[e][1]benzofuran-2-carbohydrazide?
(2R)-1,2-dihydrobenzo[e][1]benzofuran-2-carbohydrazide has a molecular weight of 228.25 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,2-dihydrobenzo[e][1]benzofuran-2-carbohydrazide is sourced from PubChem (CID 6933934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).