propyl 9-(cyclopentylmethyl)-5-(hydrazinecarbonyl)-8-methoxy-5,6,7,8-tetrahydrocarbazole-4-carboxylate

C24H33N3O4 — CID 154449517

IUPACpropyl 9-(cyclopentylmethyl)-5-(hydrazinecarbonyl)-8-methoxy-5,6,7,8-tetrahydrocarbazole-4-carboxylate
SMILESCCCOC(=O)c1cccc2c1c1c(n2CC2CCCC2)C(OC)CCC1C(=O)NN
InChIInChI=1S/C24H33N3O4/c1-3-13-31-24(29)17-9-6-10-18-20(17)21-16(23(28)26-25)11-12-19(30-2)22(21)27(18)14-15-7-4-5-8-15/h6,9-10,15-16,19H,3-5,7-8,11-14,25H2,1-2H3,(H,26,28)
InChIKeyNLCHSJWOXJWOKB-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.95
Rot. Bonds7

About propyl 9-(cyclopentylmethyl)-5-(hydrazinecarbonyl)-8-methoxy-5,6,7,8-tetrahydrocarbazole-4-carboxylate

propyl 9-(cyclopentylmethyl)-5-(hydrazinecarbonyl)-8-methoxy-5,6,7,8-tetrahydrocarbazole-4-carboxylate (PubChem CID 154449517) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is propyl 9-(cyclopentylmethyl)-5-(hydrazinecarbonyl)-8-methoxy-5,6,7,8-tetrahydrocarbazole-4-carboxylate.

Molecular Properties

Compound Namepropyl 9-(cyclopentylmethyl)-5-(hydrazinecarbonyl)-8-methoxy-5,6,7,8-tetrahydrocarbazole-4-carboxylate
PubChem CID154449517
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Namepropyl 9-(cyclopentylmethyl)-5-(hydrazinecarbonyl)-8-methoxy-5,6,7,8-tetrahydrocarbazole-4-carboxylate
SMILESCCCOC(=O)c1cccc2c1c1c(n2CC2CCCC2)C(OC)CCC1C(=O)NN
InChIInChI=1S/C24H33N3O4/c1-3-13-31-24(29)17-9-6-10-18-20(17)21-16(23(28)26-25)11-12-19(30-2)22(21)27(18)14-15-7-4-5-8-15/h6,9-10,15-16,19H,3-5,7-8,11-14,25H2,1-2H3,(H,26,28)
InChIKeyNLCHSJWOXJWOKB-UHFFFAOYSA-N
XLogP3.95
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of propyl 9-(cyclopentylmethyl)-5-(hydrazinecarbonyl)-8-methoxy-5,6,7,8-tetrahydrocarbazole-4-carboxylate?
The IUPAC name of propyl 9-(cyclopentylmethyl)-5-(hydrazinecarbonyl)-8-methoxy-5,6,7,8-tetrahydrocarbazole-4-carboxylate (CID 154449517) is propyl 9-(cyclopentylmethyl)-5-(hydrazinecarbonyl)-8-methoxy-5,6,7,8-tetrahydrocarbazole-4-carboxylate.
What is the SMILES notation for propyl 9-(cyclopentylmethyl)-5-(hydrazinecarbonyl)-8-methoxy-5,6,7,8-tetrahydrocarbazole-4-carboxylate?
The canonical SMILES for propyl 9-(cyclopentylmethyl)-5-(hydrazinecarbonyl)-8-methoxy-5,6,7,8-tetrahydrocarbazole-4-carboxylate is CCCOC(=O)c1cccc2c1c1c(n2CC2CCCC2)C(OC)CCC1C(=O)NN.
What is the InChIKey of propyl 9-(cyclopentylmethyl)-5-(hydrazinecarbonyl)-8-methoxy-5,6,7,8-tetrahydrocarbazole-4-carboxylate?
The InChIKey is NLCHSJWOXJWOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-3-13-31-24(29)17-9-6-10-18-20(17)21-16(23(28)26-25)11-12-19(30-2)22(21)27(18)14-15-7-4-5-8-15/h6,9-10,15-16,19H,3-5,7-8,11-14,25H2,1-2H3,(H,26,28).
What are the key properties of propyl 9-(cyclopentylmethyl)-5-(hydrazinecarbonyl)-8-methoxy-5,6,7,8-tetrahydrocarbazole-4-carboxylate?
propyl 9-(cyclopentylmethyl)-5-(hydrazinecarbonyl)-8-methoxy-5,6,7,8-tetrahydrocarbazole-4-carboxylate has a molecular weight of 427.55 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 9-(cyclopentylmethyl)-5-(hydrazinecarbonyl)-8-methoxy-5,6,7,8-tetrahydrocarbazole-4-carboxylate is sourced from PubChem (CID 154449517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).