(6Z)-6-(2-methoxyethylidene)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide

C19H23NO2 — CID 162525990

IUPAC(6Z)-6-(2-methoxyethylidene)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESCOC/C=C1/C2CC3(c4ccccc4)CC1C(C(N)=O)(C2)C3
InChIInChI=1S/C19H23NO2/c1-22-8-7-15-13-9-18(14-5-3-2-4-6-14)11-16(15)19(10-13,12-18)17(20)21/h2-7,13,16H,8-12H2,1H3,(H2,20,21)/b15-7-
InChIKeyNJWFHHNKXVDJNU-CHHVJCJISA-N
MW297.40 g/mol
LogP2.80
Rot. Bonds4

About (6Z)-6-(2-methoxyethylidene)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide

(6Z)-6-(2-methoxyethylidene)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 162525990) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (6Z)-6-(2-methoxyethylidene)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound Name(6Z)-6-(2-methoxyethylidene)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID162525990
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(6Z)-6-(2-methoxyethylidene)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESCOC/C=C1/C2CC3(c4ccccc4)CC1C(C(N)=O)(C2)C3
InChIInChI=1S/C19H23NO2/c1-22-8-7-15-13-9-18(14-5-3-2-4-6-14)11-16(15)19(10-13,12-18)17(20)21/h2-7,13,16H,8-12H2,1H3,(H2,20,21)/b15-7-
InChIKeyNJWFHHNKXVDJNU-CHHVJCJISA-N
XLogP2.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-6-propylideneadamantane-1-carboxamide
CID 166909043
6-benzylidene-3-phenyladamantane-1-carboxamide
CID 162754646
6-methylidene-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxylic acid
CID 162525958
(6E)-3,7-dimethyl-1-phenyl-6-propylidenebicyclo[3.3.1]nonane-3-carboxylic acid
CID 162525699
6-methylidene-1-phenyltricyclo[3.3.1.03,7]nonane-3-carbothioamide
CID 166909038
methyl 6-methylidene-3-phenyladamantane-1-carboxylate
CID 162754718
[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-[(6Z)-6-(cyclopropylmethylidene)-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl]methanethione
CID 166908406
molecular hydrogen;(6Z)-3-phenyl-6-propylidenetetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide
CID 162525571
(1R)-1-methyl-2,2-diphenylcyclopropane-1-carboxamide
CID 86339419
(2-amino-2-oxoethyl) (5S,7S)-3-phenyladamantane-1-carboxylate
CID 98406265
(6E)-3,7-dimethyl-1-phenyl-6-prop-2-enylidenebicyclo[3.3.1]nonane-3-carboxylic acid
CID 162525408
(6E)-3-phenyl-6-propylidenetetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide
CID 162525467

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-(2-methoxyethylidene)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of (6Z)-6-(2-methoxyethylidene)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 162525990) is (6Z)-6-(2-methoxyethylidene)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for (6Z)-6-(2-methoxyethylidene)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for (6Z)-6-(2-methoxyethylidene)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide is COC/C=C1/C2CC3(c4ccccc4)CC1C(C(N)=O)(C2)C3.
What is the InChIKey of (6Z)-6-(2-methoxyethylidene)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is NJWFHHNKXVDJNU-CHHVJCJISA-N. The full InChI is InChI=1S/C19H23NO2/c1-22-8-7-15-13-9-18(14-5-3-2-4-6-14)11-16(15)19(10-13,12-18)17(20)21/h2-7,13,16H,8-12H2,1H3,(H2,20,21)/b15-7-.
What are the key properties of (6Z)-6-(2-methoxyethylidene)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
(6Z)-6-(2-methoxyethylidene)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(2-methoxyethylidene)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 162525990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).