3-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)propanehydrazide

C14H17N3O — CID 5223647

IUPAC3-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)propanehydrazide
SMILESNNC(=O)CCn1c2c(c3ccccc31)CCC2
InChIInChI=1S/C14H17N3O/c15-16-14(18)8-9-17-12-6-2-1-4-10(12)11-5-3-7-13(11)17/h1-2,4,6H,3,5,7-9,15H2,(H,16,18)
InChIKeyVUIMMJQTMHXXLU-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.51
Rot. Bonds3

About 3-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)propanehydrazide

3-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)propanehydrazide (PubChem CID 5223647) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)propanehydrazide.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)propanehydrazide
PubChem CID5223647
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)propanehydrazide
SMILESNNC(=O)CCn1c2c(c3ccccc31)CCC2
InChIInChI=1S/C14H17N3O/c15-16-14(18)8-9-17-12-6-2-1-4-10(12)11-5-3-7-13(11)17/h1-2,4,6H,3,5,7-9,15H2,(H,16,18)
InChIKeyVUIMMJQTMHXXLU-UHFFFAOYSA-N
XLogP1.51
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)propanehydrazide?
The IUPAC name of 3-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)propanehydrazide (CID 5223647) is 3-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)propanehydrazide.
What is the SMILES notation for 3-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)propanehydrazide?
The canonical SMILES for 3-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)propanehydrazide is NNC(=O)CCn1c2c(c3ccccc31)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)propanehydrazide?
The InChIKey is VUIMMJQTMHXXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-16-14(18)8-9-17-12-6-2-1-4-10(12)11-5-3-7-13(11)17/h1-2,4,6H,3,5,7-9,15H2,(H,16,18).
What are the key properties of 3-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)propanehydrazide?
3-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)propanehydrazide has a molecular weight of 243.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)propanehydrazide is sourced from PubChem (CID 5223647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).