2-[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]acetohydrazide

C17H25N3O — CID 105352055

IUPAC2-[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(CN2CCC3CCCCC32)cc1
InChIInChI=1S/C17H25N3O/c18-19-17(21)11-13-5-7-14(8-6-13)12-20-10-9-15-3-1-2-4-16(15)20/h5-8,15-16H,1-4,9-12,18H2,(H,19,21)
InChIKeyKHSLVUZOEXQMLM-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.98
Rot. Bonds4

About 2-[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]acetohydrazide

2-[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]acetohydrazide (PubChem CID 105352055) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]acetohydrazide
PubChem CID105352055
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(CN2CCC3CCCCC32)cc1
InChIInChI=1S/C17H25N3O/c18-19-17(21)11-13-5-7-14(8-6-13)12-20-10-9-15-3-1-2-4-16(15)20/h5-8,15-16H,1-4,9-12,18H2,(H,19,21)
InChIKeyKHSLVUZOEXQMLM-UHFFFAOYSA-N
XLogP1.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.98
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

2-[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)phenyl]acetohydrazide
CID 105351843
2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)phenyl]acetohydrazide
CID 105352050
N-[[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]methyl]cyclopropanamine
CID 82752403
2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]acetohydrazide
CID 105352123
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-2-carbohydrazide
CID 65322215
2-[4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]phenyl]ethanamine
CID 102726874
1-[(4-bromophenyl)methyl]-2-cyclopentylpyrrolidine
CID 55192798
2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 105351724
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-fluoroaniline
CID 82747102
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methylpropanehydrazide
CID 82752286
[5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-pyridinyl]hydrazine
CID 102728191
3-[(2-cyclohexylpyrrolidin-1-yl)methyl]benzoic acid
CID 122028648

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]acetohydrazide?
The IUPAC name of 2-[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]acetohydrazide (CID 105352055) is 2-[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]acetohydrazide?
The canonical SMILES for 2-[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]acetohydrazide is NNC(=O)Cc1ccc(CN2CCC3CCCCC32)cc1.
What is the InChIKey of 2-[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]acetohydrazide?
The InChIKey is KHSLVUZOEXQMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c18-19-17(21)11-13-5-7-14(8-6-13)12-20-10-9-15-3-1-2-4-16(15)20/h5-8,15-16H,1-4,9-12,18H2,(H,19,21).
What are the key properties of 2-[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]acetohydrazide?
2-[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]acetohydrazide has a molecular weight of 287.41 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]acetohydrazide is sourced from PubChem (CID 105352055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).