(6Z)-3-phenyl-6-prop-2-enylidenetetracyclo[5.3.1.03,9.05,9]undecane-1-carboxylic acid

C21H22O2 — CID 162754674

IUPAC(6Z)-3-phenyl-6-prop-2-enylidenetetracyclo[5.3.1.03,9.05,9]undecane-1-carboxylic acid
SMILESC=C/C=C1/C2CC3(C(=O)O)CC4(c5ccccc5)CC1C4(C2)C3
InChIInChI=1S/C21H22O2/c1-2-6-16-14-9-19(18(22)23)12-20(15-7-4-3-5-8-15)11-17(16)21(20,10-14)13-19/h2-8,14,17H,1,9-13H2,(H,22,23)/b16-6-
InChIKeyAELXAGCLRCDKDT-SOFYXZRVSA-N
MW306.41 g/mol
LogP4.33
Rot. Bonds3

About (6Z)-3-phenyl-6-prop-2-enylidenetetracyclo[5.3.1.03,9.05,9]undecane-1-carboxylic acid

(6Z)-3-phenyl-6-prop-2-enylidenetetracyclo[5.3.1.03,9.05,9]undecane-1-carboxylic acid (PubChem CID 162754674) has the molecular formula C21H22O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (6Z)-3-phenyl-6-prop-2-enylidenetetracyclo[5.3.1.03,9.05,9]undecane-1-carboxylic acid.

Molecular Properties

Compound Name(6Z)-3-phenyl-6-prop-2-enylidenetetracyclo[5.3.1.03,9.05,9]undecane-1-carboxylic acid
PubChem CID162754674
Molecular FormulaC21H22O2
Molecular Weight306.41 g/mol
Exact Mass306.16
IUPAC Name(6Z)-3-phenyl-6-prop-2-enylidenetetracyclo[5.3.1.03,9.05,9]undecane-1-carboxylic acid
SMILESC=C/C=C1/C2CC3(C(=O)O)CC4(c5ccccc5)CC1C4(C2)C3
InChIInChI=1S/C21H22O2/c1-2-6-16-14-9-19(18(22)23)12-20(15-7-4-3-5-8-15)11-17(16)21(20,10-14)13-19/h2-8,14,17H,1,9-13H2,(H,22,23)/b16-6-
InChIKeyAELXAGCLRCDKDT-SOFYXZRVSA-N
XLogP4.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (6Z)-3-phenyl-6-prop-2-enylidenetetracyclo[5.3.1.03,9.05,9]undecane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

molecular hydrogen;(6Z)-3-phenyl-6-propylidenetetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide
CID 162525571
formaldehyde;methyl (6E)-6-butylidene-3-phenyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxylate
CID 162754516
(6Z)-3-phenyl-6-propylidenetetracyclo[5.3.1.03,9.05,9]undecane-1-carbothioamide
CID 162754737
(6E)-3,7-dimethyl-1-phenyl-6-prop-2-enylidenebicyclo[3.3.1]nonane-3-carboxylic acid
CID 162525408
6-benzylidene-3-phenyladamantane-1-carboxamide
CID 162754646
(3-phenyl-1-tetracyclo[5.3.1.03,9.05,9]undecanyl)-pyrrolidin-1-ylmethanone
CID 142519925
(6E)-3-phenyl-6-propylidenetetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide
CID 162525467
(6E)-6-ethylidene-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide
CID 162526016
(3R,5R)-3-methyl-5-phenyladamantane-1-carboxylic acid
CID 137435972
(6E)-6-(3-methylbut-2-enylidene)-3-phenyltricyclo[5.3.1.03,9]undecane-1-carboxylic acid
CID 162754628
3-phenyl-5-(pyrrolidine-1-carbonyl)adamantane-1-carboxylic acid
CID 130247690
3-phenyl-6-propylideneadamantane-1-carboxamide
CID 166909043

Frequently Asked Questions

What is the IUPAC name of (6Z)-3-phenyl-6-prop-2-enylidenetetracyclo[5.3.1.03,9.05,9]undecane-1-carboxylic acid?
The IUPAC name of (6Z)-3-phenyl-6-prop-2-enylidenetetracyclo[5.3.1.03,9.05,9]undecane-1-carboxylic acid (CID 162754674) is (6Z)-3-phenyl-6-prop-2-enylidenetetracyclo[5.3.1.03,9.05,9]undecane-1-carboxylic acid.
What is the SMILES notation for (6Z)-3-phenyl-6-prop-2-enylidenetetracyclo[5.3.1.03,9.05,9]undecane-1-carboxylic acid?
The canonical SMILES for (6Z)-3-phenyl-6-prop-2-enylidenetetracyclo[5.3.1.03,9.05,9]undecane-1-carboxylic acid is C=C/C=C1/C2CC3(C(=O)O)CC4(c5ccccc5)CC1C4(C2)C3.
What is the InChIKey of (6Z)-3-phenyl-6-prop-2-enylidenetetracyclo[5.3.1.03,9.05,9]undecane-1-carboxylic acid?
The InChIKey is AELXAGCLRCDKDT-SOFYXZRVSA-N. The full InChI is InChI=1S/C21H22O2/c1-2-6-16-14-9-19(18(22)23)12-20(15-7-4-3-5-8-15)11-17(16)21(20,10-14)13-19/h2-8,14,17H,1,9-13H2,(H,22,23)/b16-6-.
What are the key properties of (6Z)-3-phenyl-6-prop-2-enylidenetetracyclo[5.3.1.03,9.05,9]undecane-1-carboxylic acid?
(6Z)-3-phenyl-6-prop-2-enylidenetetracyclo[5.3.1.03,9.05,9]undecane-1-carboxylic acid has a molecular weight of 306.41 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-3-phenyl-6-prop-2-enylidenetetracyclo[5.3.1.03,9.05,9]undecane-1-carboxylic acid is sourced from PubChem (CID 162754674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).