N'-acetyl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanehydrazide

C17H21N3O2 — CID 3791031

IUPACN'-acetyl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanehydrazide
SMILESCC(=O)NNC(=O)CCn1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C17H21N3O2/c1-12(21)18-19-17(22)10-11-20-15-8-4-2-6-13(15)14-7-3-5-9-16(14)20/h2,4,6,8H,3,5,7,9-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyVNEAHZDYPVYBEY-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.08
Rot. Bonds3

About N'-acetyl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanehydrazide

N'-acetyl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanehydrazide (PubChem CID 3791031) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N'-acetyl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanehydrazide.

Molecular Properties

Compound NameN'-acetyl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanehydrazide
PubChem CID3791031
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN'-acetyl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanehydrazide
SMILESCC(=O)NNC(=O)CCn1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C17H21N3O2/c1-12(21)18-19-17(22)10-11-20-15-8-4-2-6-13(15)14-7-3-5-9-16(14)20/h2,4,6,8H,3,5,7,9-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyVNEAHZDYPVYBEY-UHFFFAOYSA-N
XLogP2.08
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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2-[9-(3-Methylbutyl)carbazol-3-yl]acetamide
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2-Acetyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-B]indole
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CID 1717915

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanehydrazide?
The IUPAC name of N'-acetyl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanehydrazide (CID 3791031) is N'-acetyl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanehydrazide.
What is the SMILES notation for N'-acetyl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanehydrazide?
The canonical SMILES for N'-acetyl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanehydrazide is CC(=O)NNC(=O)CCn1c2c(c3ccccc31)CCCC2.
What is the InChIKey of N'-acetyl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanehydrazide?
The InChIKey is VNEAHZDYPVYBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(21)18-19-17(22)10-11-20-15-8-4-2-6-13(15)14-7-3-5-9-16(14)20/h2,4,6,8H,3,5,7,9-11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-acetyl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanehydrazide?
N'-acetyl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanehydrazide has a molecular weight of 299.37 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanehydrazide is sourced from PubChem (CID 3791031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).