2-(prop-2-enoxymethylidene)adamantane

C14H20O — CID 10035824

IUPAC2-(prop-2-enoxymethylidene)adamantane
SMILESC=CCOC=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H20O/c1-2-3-15-9-14-12-5-10-4-11(7-12)8-13(14)6-10/h2,9-13H,1,3-8H2/b14-9-
InChIKeyGRRLOVGUXVJTFA-ZROIWOOFSA-N
MW204.31 g/mol
LogP3.53
Rot. Bonds3

About 2-(prop-2-enoxymethylidene)adamantane

2-(prop-2-enoxymethylidene)adamantane (PubChem CID 10035824) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-(prop-2-enoxymethylidene)adamantane.

Molecular Properties

Compound Name2-(prop-2-enoxymethylidene)adamantane
PubChem CID10035824
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-(prop-2-enoxymethylidene)adamantane
SMILESC=CCOC=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H20O/c1-2-3-15-9-14-12-5-10-4-11(7-12)8-13(14)6-10/h2,9-13H,1,3-8H2/b14-9-
InChIKeyGRRLOVGUXVJTFA-ZROIWOOFSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(prop-2-enoxymethylidene)adamantane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enoxymethylidene)adamantane?
The IUPAC name of 2-(prop-2-enoxymethylidene)adamantane (CID 10035824) is 2-(prop-2-enoxymethylidene)adamantane.
What is the SMILES notation for 2-(prop-2-enoxymethylidene)adamantane?
The canonical SMILES for 2-(prop-2-enoxymethylidene)adamantane is C=CCOC=C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(prop-2-enoxymethylidene)adamantane?
The InChIKey is GRRLOVGUXVJTFA-ZROIWOOFSA-N. The full InChI is InChI=1S/C14H20O/c1-2-3-15-9-14-12-5-10-4-11(7-12)8-13(14)6-10/h2,9-13H,1,3-8H2/b14-9-.
What are the key properties of 2-(prop-2-enoxymethylidene)adamantane?
2-(prop-2-enoxymethylidene)adamantane has a molecular weight of 204.31 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoxymethylidene)adamantane is sourced from PubChem (CID 10035824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).