(3R)-N'-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbohydrazide

C14H17N3O — CID 162349920

IUPAC(3R)-N'-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbohydrazide
SMILESCNNC(=O)[C@@H]1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C14H17N3O/c1-15-17-14(18)9-6-7-13-11(8-9)10-4-2-3-5-12(10)16-13/h2-5,9,15-16H,6-8H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeyXWQRGTWJEGJTGI-SECBINFHSA-N
MW243.31 g/mol
LogP1.52
Rot. Bonds2

About (3R)-N'-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbohydrazide

(3R)-N'-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbohydrazide (PubChem CID 162349920) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (3R)-N'-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbohydrazide.

Molecular Properties

Compound Name(3R)-N'-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbohydrazide
PubChem CID162349920
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(3R)-N'-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbohydrazide
SMILESCNNC(=O)[C@@H]1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C14H17N3O/c1-15-17-14(18)9-6-7-13-11(8-9)10-4-2-3-5-12(10)16-13/h2-5,9,15-16H,6-8H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeyXWQRGTWJEGJTGI-SECBINFHSA-N
XLogP1.52
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

N-phenyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203609
N-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203527
N-(2,2-dimethoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 23249177
N-(2-ethylphenyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203621
N-prop-2-enyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203525
N-(diaminomethylidene)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 59626250
pyrrolidin-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
CID 113203529
N-(3-chloro-2-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203629
N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 69179589
N-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 169084126
2-(azetidin-3-yl)-3-oxo-3-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
CID 87644132
N,N-dipropyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203605

Frequently Asked Questions

What is the IUPAC name of (3R)-N'-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbohydrazide?
The IUPAC name of (3R)-N'-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbohydrazide (CID 162349920) is (3R)-N'-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbohydrazide.
What is the SMILES notation for (3R)-N'-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbohydrazide?
The canonical SMILES for (3R)-N'-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbohydrazide is CNNC(=O)[C@@H]1CCc2[nH]c3ccccc3c2C1.
What is the InChIKey of (3R)-N'-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbohydrazide?
The InChIKey is XWQRGTWJEGJTGI-SECBINFHSA-N. The full InChI is InChI=1S/C14H17N3O/c1-15-17-14(18)9-6-7-13-11(8-9)10-4-2-3-5-12(10)16-13/h2-5,9,15-16H,6-8H2,1H3,(H,17,18)/t9-/m1/s1.
What are the key properties of (3R)-N'-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbohydrazide?
(3R)-N'-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbohydrazide has a molecular weight of 243.31 g/mol, XLogP of 1.52, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N'-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbohydrazide is sourced from PubChem (CID 162349920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).