N'-(1,3-benzodioxole-5-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide

C21H19N3O4 — CID 34255025

IUPACN'-(1,3-benzodioxole-5-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccc2c(c1)OCO2
InChIInChI=1S/C21H19N3O4/c25-20(23-24-21(26)13-6-8-18-19(10-13)28-11-27-18)12-5-7-17-15(9-12)14-3-1-2-4-16(14)22-17/h5-10,22H,1-4,11H2,(H,23,25)(H,24,26)
InChIKeyUDTBINWHULYCOU-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.85
Rot. Bonds2

About N'-(1,3-benzodioxole-5-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide

N'-(1,3-benzodioxole-5-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide (PubChem CID 34255025) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N'-(1,3-benzodioxole-5-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(1,3-benzodioxole-5-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
PubChem CID34255025
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN'-(1,3-benzodioxole-5-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccc2c(c1)OCO2
InChIInChI=1S/C21H19N3O4/c25-20(23-24-21(26)13-6-8-18-19(10-13)28-11-27-18)12-5-7-17-15(9-12)14-3-1-2-4-16(14)22-17/h5-10,22H,1-4,11H2,(H,23,25)(H,24,26)
InChIKeyUDTBINWHULYCOU-UHFFFAOYSA-N
XLogP2.85
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 2433964
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
N-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46560236
N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18109932
2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid
CID 117359601
N-(3-acetamidophenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27258967
(1,3-benzodioxole-5-carbonylamino)thiourea
CID 12654315
N-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 24641089
N-[2-(dimethylamino)-2-phenylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 3953863
N-[(Z)-furan-2-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 112538210
N-(2,2-dimethyloxan-4-yl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide
CID 71754454
N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 113081515

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzodioxole-5-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide?
The IUPAC name of N'-(1,3-benzodioxole-5-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide (CID 34255025) is N'-(1,3-benzodioxole-5-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide.
What is the SMILES notation for N'-(1,3-benzodioxole-5-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide?
The canonical SMILES for N'-(1,3-benzodioxole-5-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide is O=C(NNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccc2c(c1)OCO2.
What is the InChIKey of N'-(1,3-benzodioxole-5-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide?
The InChIKey is UDTBINWHULYCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c25-20(23-24-21(26)13-6-8-18-19(10-13)28-11-27-18)12-5-7-17-15(9-12)14-3-1-2-4-16(14)22-17/h5-10,22H,1-4,11H2,(H,23,25)(H,24,26).
What are the key properties of N'-(1,3-benzodioxole-5-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide?
N'-(1,3-benzodioxole-5-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide has a molecular weight of 377.40 g/mol, XLogP of 2.85, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzodioxole-5-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide is sourced from PubChem (CID 34255025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).