5-(2-oxobenzo[cd]indol-1-yl)pentanehydrazide

C16H17N3O2 — CID 63578287

IUPAC5-(2-oxobenzo[cd]indol-1-yl)pentanehydrazide
SMILESNNC(=O)CCCCN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C16H17N3O2/c17-18-14(20)9-1-2-10-19-13-8-4-6-11-5-3-7-12(15(11)13)16(19)21/h3-8H,1-2,9-10,17H2,(H,18,20)
InChIKeyZWSPOXAOZQQRRN-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.96
Rot. Bonds5

About 5-(2-oxobenzo[cd]indol-1-yl)pentanehydrazide

5-(2-oxobenzo[cd]indol-1-yl)pentanehydrazide (PubChem CID 63578287) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-(2-oxobenzo[cd]indol-1-yl)pentanehydrazide.

Molecular Properties

Compound Name5-(2-oxobenzo[cd]indol-1-yl)pentanehydrazide
PubChem CID63578287
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name5-(2-oxobenzo[cd]indol-1-yl)pentanehydrazide
SMILESNNC(=O)CCCCN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C16H17N3O2/c17-18-14(20)9-1-2-10-19-13-8-4-6-11-5-3-7-12(15(11)13)16(19)21/h3-8H,1-2,9-10,17H2,(H,18,20)
InChIKeyZWSPOXAOZQQRRN-UHFFFAOYSA-N
XLogP1.96
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one
CID 15023408
4-(2-oxobenzo[cd]indol-1-yl)butanoic acid
CID 24689476
1-(4-hydroxybutyl)benzo[cd]indol-2-one
CID 43509847
5-(1,3-dioxoisoindol-2-yl)pentanehydrazide
CID 63572994
6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide
CID 5186
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-methylbutanamide
CID 3276380
3-(2-oxobenzo[cd]indol-1-yl)propanal
CID 63039828
N-[1-(4-methoxyphenoxy)propan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide
CID 132665568
1-(3-pyrrolidin-1-ylpropyl)benzo[cd]indol-2-one
CID 116619002
4-(2-oxobenzo[cd]indol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 133145406
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-hydroxyethyl)butanamide
CID 2922128
sodium 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate
CID 23680122

Frequently Asked Questions

What is the IUPAC name of 5-(2-oxobenzo[cd]indol-1-yl)pentanehydrazide?
The IUPAC name of 5-(2-oxobenzo[cd]indol-1-yl)pentanehydrazide (CID 63578287) is 5-(2-oxobenzo[cd]indol-1-yl)pentanehydrazide.
What is the SMILES notation for 5-(2-oxobenzo[cd]indol-1-yl)pentanehydrazide?
The canonical SMILES for 5-(2-oxobenzo[cd]indol-1-yl)pentanehydrazide is NNC(=O)CCCCN1C(=O)c2cccc3cccc1c23.
What is the InChIKey of 5-(2-oxobenzo[cd]indol-1-yl)pentanehydrazide?
The InChIKey is ZWSPOXAOZQQRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c17-18-14(20)9-1-2-10-19-13-8-4-6-11-5-3-7-12(15(11)13)16(19)21/h3-8H,1-2,9-10,17H2,(H,18,20).
What are the key properties of 5-(2-oxobenzo[cd]indol-1-yl)pentanehydrazide?
5-(2-oxobenzo[cd]indol-1-yl)pentanehydrazide has a molecular weight of 283.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxobenzo[cd]indol-1-yl)pentanehydrazide is sourced from PubChem (CID 63578287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).