1-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2,5-dimethylpyrrole-3-carbohydrazide

C19H21N3O4 — CID 71900851

IUPAC1-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2,5-dimethylpyrrole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c(C)n1C1CC1
InChIInChI=1S/C19H21N3O4/c1-11-9-15(12(2)22(11)14-4-5-14)19(24)21-20-18(23)13-3-6-16-17(10-13)26-8-7-25-16/h3,6,9-10,14H,4-5,7-8H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyLSIYEKNWYSUYMC-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.29
Rot. Bonds3

About 1-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2,5-dimethylpyrrole-3-carbohydrazide

1-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2,5-dimethylpyrrole-3-carbohydrazide (PubChem CID 71900851) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 1-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2,5-dimethylpyrrole-3-carbohydrazide.

Molecular Properties

Compound Name1-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2,5-dimethylpyrrole-3-carbohydrazide
PubChem CID71900851
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name1-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2,5-dimethylpyrrole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c(C)n1C1CC1
InChIInChI=1S/C19H21N3O4/c1-11-9-15(12(2)22(11)14-4-5-14)19(24)21-20-18(23)13-3-6-16-17(10-13)26-8-7-25-16/h3,6,9-10,14H,4-5,7-8H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyLSIYEKNWYSUYMC-UHFFFAOYSA-N
XLogP2.29
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
1-cyclopropyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrole-3-carboxamide
CID 119041646
N'-(3-fluoro-4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 51275429
N'-(3-bromo-2-hydroxy-5-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 55929250
1-cyclopropyl-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 94840101
1-cyclopropyl-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 97003353
N'-(3,5-difluorobenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 51275269
1-cyclopropyl-2,5-dimethyl-N-(4-methylphenyl)pyrrole-3-carboxamide
CID 17471885
N'-(2-methoxyacetyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 47129790
N'-(4-bromo-2-fluorobenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 51275432
N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 2476387
N'-(furan-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9477205

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2,5-dimethylpyrrole-3-carbohydrazide?
The IUPAC name of 1-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2,5-dimethylpyrrole-3-carbohydrazide (CID 71900851) is 1-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2,5-dimethylpyrrole-3-carbohydrazide.
What is the SMILES notation for 1-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2,5-dimethylpyrrole-3-carbohydrazide?
The canonical SMILES for 1-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2,5-dimethylpyrrole-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c(C)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2,5-dimethylpyrrole-3-carbohydrazide?
The InChIKey is LSIYEKNWYSUYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-11-9-15(12(2)22(11)14-4-5-14)19(24)21-20-18(23)13-3-6-16-17(10-13)26-8-7-25-16/h3,6,9-10,14H,4-5,7-8H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 1-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2,5-dimethylpyrrole-3-carbohydrazide?
1-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2,5-dimethylpyrrole-3-carbohydrazide has a molecular weight of 355.39 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2,5-dimethylpyrrole-3-carbohydrazide is sourced from PubChem (CID 71900851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).