N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]cyclohex-3-ene-1-carboxamide

C17H21NO2 — CID 71796723

IUPACN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC1(O)CCc2ccccc21)C1CC=CCC1
InChIInChI=1S/C17H21NO2/c19-16(14-7-2-1-3-8-14)18-12-17(20)11-10-13-6-4-5-9-15(13)17/h1-2,4-6,9,14,20H,3,7-8,10-12H2,(H,18,19)
InChIKeySAWALAADUXPDFA-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.29
Rot. Bonds3

About N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]cyclohex-3-ene-1-carboxamide

N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 71796723) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]cyclohex-3-ene-1-carboxamide
PubChem CID71796723
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC1(O)CCc2ccccc21)C1CC=CCC1
InChIInChI=1S/C17H21NO2/c19-16(14-7-2-1-3-8-14)18-12-17(20)11-10-13-6-4-5-9-15(13)17/h1-2,4-6,9,14,20H,3,7-8,10-12H2,(H,18,19)
InChIKeySAWALAADUXPDFA-UHFFFAOYSA-N
XLogP2.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]cyclohex-3-ene-1-carboxamide (CID 71796723) is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]cyclohex-3-ene-1-carboxamide is O=C(NCC1(O)CCc2ccccc21)C1CC=CCC1.
What is the InChIKey of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is SAWALAADUXPDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-16(14-7-2-1-3-8-14)18-12-17(20)11-10-13-6-4-5-9-15(13)17/h1-2,4-6,9,14,20H,3,7-8,10-12H2,(H,18,19).
What are the key properties of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]cyclohex-3-ene-1-carboxamide?
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 71796723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).