1-[(1S)-1'-[[(2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one

C26H34N2O — CID 59433068

IUPAC1-[(1S)-1'-[[(2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@H]1CCC2(CCN(C[C@@H]3C[C@H]4C=CC3C4)CC2)c2ccccc21
InChIInChI=1S/C26H34N2O/c29-25-6-3-13-28(25)24-9-10-26(23-5-2-1-4-22(23)24)11-14-27(15-12-26)18-21-17-19-7-8-20(21)16-19/h1-2,4-5,7-8,19-21,24H,3,6,9-18H2/t19-,20?,21-,24-/m0/s1
InChIKeyDPVPQQMDCYZMHC-NSKGKNSYSA-N
MW390.57 g/mol
LogP4.69
Rot. Bonds3

About 1-[(1S)-1'-[[(2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one

1-[(1S)-1'-[[(2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one (PubChem CID 59433068) has the molecular formula C26H34N2O and a molecular weight of 390.57 g/mol. Its IUPAC name is 1-[(1S)-1'-[[(2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(1S)-1'-[[(2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one
PubChem CID59433068
Molecular FormulaC26H34N2O
Molecular Weight390.57 g/mol
Exact Mass390.27
IUPAC Name1-[(1S)-1'-[[(2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@H]1CCC2(CCN(C[C@@H]3C[C@H]4C=CC3C4)CC2)c2ccccc21
InChIInChI=1S/C26H34N2O/c29-25-6-3-13-28(25)24-9-10-26(23-5-2-1-4-22(23)24)11-14-27(15-12-26)18-21-17-19-7-8-20(21)16-19/h1-2,4-5,7-8,19-21,24H,3,6,9-18H2/t19-,20?,21-,24-/m0/s1
InChIKeyDPVPQQMDCYZMHC-NSKGKNSYSA-N
XLogP4.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 54.69
H-Bond Donors ≤ 50
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 1-[(1S)-1'-[[(2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(1S)-1'-[[(2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one (CID 59433068) is 1-[(1S)-1'-[[(2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(1S)-1'-[[(2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(1S)-1'-[[(2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one is O=C1CCCN1[C@H]1CCC2(CCN(C[C@@H]3C[C@H]4C=CC3C4)CC2)c2ccccc21.
What is the InChIKey of 1-[(1S)-1'-[[(2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one?
The InChIKey is DPVPQQMDCYZMHC-NSKGKNSYSA-N. The full InChI is InChI=1S/C26H34N2O/c29-25-6-3-13-28(25)24-9-10-26(23-5-2-1-4-22(23)24)11-14-27(15-12-26)18-21-17-19-7-8-20(21)16-19/h1-2,4-5,7-8,19-21,24H,3,6,9-18H2/t19-,20?,21-,24-/m0/s1.
What are the key properties of 1-[(1S)-1'-[[(2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one?
1-[(1S)-1'-[[(2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one has a molecular weight of 390.57 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1'-[[(2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 59433068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).