5-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbohydrazide

C10H19N3O2 — CID 170906156

IUPAC5-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbohydrazide
SMILESCOC1CCC2NC(C(=O)NN)CC2C1
InChIInChI=1S/C10H19N3O2/c1-15-7-2-3-8-6(4-7)5-9(12-8)10(14)13-11/h6-9,12H,2-5,11H2,1H3,(H,13,14)
InChIKeyIUZJWBXNZAHKFT-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.48
Rot. Bonds2

About 5-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbohydrazide

5-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbohydrazide (PubChem CID 170906156) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbohydrazide.

Molecular Properties

Compound Name5-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbohydrazide
PubChem CID170906156
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name5-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbohydrazide
SMILESCOC1CCC2NC(C(=O)NN)CC2C1
InChIInChI=1S/C10H19N3O2/c1-15-7-2-3-8-6(4-7)5-9(12-8)10(14)13-11/h6-9,12H,2-5,11H2,1H3,(H,13,14)
InChIKeyIUZJWBXNZAHKFT-UHFFFAOYSA-N
XLogP-0.48
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbohydrazide
CID 124677412
methyl (1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxylate;hydrochloride
CID 43811016
methyl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate
CID 161432755
methyl (2R,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylate
CID 89197432
1-[5-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]ethanone
CID 163957368
(1S,3S,5S)-N-cyclopropyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 130878717
1-(3-methoxycyclopentyl)ethanone
CID 140959253
N-(3-methoxypropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119262546
methyl 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)butanoate;hydrochloride
CID 119268693
methyl 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)butanoate;hydrochloride
CID 119274284
(1S,3S,5S)-N-(cyclobutylmethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
CID 131008534
tert-butyl N-[(1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carbonyl]carbamate
CID 69230175

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbohydrazide?
The IUPAC name of 5-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbohydrazide (CID 170906156) is 5-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbohydrazide.
What is the SMILES notation for 5-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbohydrazide?
The canonical SMILES for 5-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbohydrazide is COC1CCC2NC(C(=O)NN)CC2C1.
What is the InChIKey of 5-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbohydrazide?
The InChIKey is IUZJWBXNZAHKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-15-7-2-3-8-6(4-7)5-9(12-8)10(14)13-11/h6-9,12H,2-5,11H2,1H3,(H,13,14).
What are the key properties of 5-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbohydrazide?
5-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbohydrazide has a molecular weight of 213.28 g/mol, XLogP of -0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbohydrazide is sourced from PubChem (CID 170906156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).