(6E)-3-phenyl-6-propylidenetetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide

C20H23NO — CID 162525467

IUPAC(6E)-3-phenyl-6-propylidenetetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide
SMILESCC/C=C1/C2CC3(C(N)=O)CC4(c5ccccc5)CC1C24C3
InChIInChI=1S/C20H23NO/c1-2-6-14-15-9-18(17(21)22)11-19(13-7-4-3-5-8-13)10-16(14)20(15,19)12-18/h3-8,15-16H,2,9-12H2,1H3,(H2,21,22)/b14-6-
InChIKeyLQKZFPGQVFMSCV-NSIKDUERSA-N
MW293.41 g/mol
LogP3.57
Rot. Bonds3

About (6E)-3-phenyl-6-propylidenetetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide

(6E)-3-phenyl-6-propylidenetetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide (PubChem CID 162525467) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (6E)-3-phenyl-6-propylidenetetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide.

Molecular Properties

Compound Name(6E)-3-phenyl-6-propylidenetetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide
PubChem CID162525467
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(6E)-3-phenyl-6-propylidenetetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide
SMILESCC/C=C1/C2CC3(C(N)=O)CC4(c5ccccc5)CC1C24C3
InChIInChI=1S/C20H23NO/c1-2-6-14-15-9-18(17(21)22)11-19(13-7-4-3-5-8-13)10-16(14)20(15,19)12-18/h3-8,15-16H,2,9-12H2,1H3,(H2,21,22)/b14-6-
InChIKeyLQKZFPGQVFMSCV-NSIKDUERSA-N
XLogP3.57
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,7R)-7-(2-fluoroethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 137436224
2-[10-Carbamoyl-4-(4-fluorophenyl)-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid
CID 143636511
2-[4-(4-fluorophenyl)-4-tetracyclo[5.2.1.03,8.05,8]decanyl]-N-methylsulfonylacetamide
CID 153670034
6-(3,3-Difluoropropyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 162525402
6-(2,2-Difluoroethyl)-6-ethyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 162526132
6,6-Difluoro-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 162526169
6-(Difluoromethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 166908582
6-(2,2-Difluoroethyl)-6-methyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 166908598
6-(2-Fluoroethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 166908990
1-Phenyl-6-(2,2,2-trifluoroethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 166908991
(6Z)-1-phenyl-6-(2,2,2-trifluoroethylidene)tricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 166908993
1-Phenyl-6-(3,3,3-trifluoropropyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 166909068

Frequently Asked Questions

What is the IUPAC name of (6E)-3-phenyl-6-propylidenetetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide?
The IUPAC name of (6E)-3-phenyl-6-propylidenetetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide (CID 162525467) is (6E)-3-phenyl-6-propylidenetetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide.
What is the SMILES notation for (6E)-3-phenyl-6-propylidenetetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide?
The canonical SMILES for (6E)-3-phenyl-6-propylidenetetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide is CC/C=C1/C2CC3(C(N)=O)CC4(c5ccccc5)CC1C24C3.
What is the InChIKey of (6E)-3-phenyl-6-propylidenetetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide?
The InChIKey is LQKZFPGQVFMSCV-NSIKDUERSA-N. The full InChI is InChI=1S/C20H23NO/c1-2-6-14-15-9-18(17(21)22)11-19(13-7-4-3-5-8-13)10-16(14)20(15,19)12-18/h3-8,15-16H,2,9-12H2,1H3,(H2,21,22)/b14-6-.
What are the key properties of (6E)-3-phenyl-6-propylidenetetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide?
(6E)-3-phenyl-6-propylidenetetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-3-phenyl-6-propylidenetetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide is sourced from PubChem (CID 162525467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).