2-prop-2-enylideneadamantane

C13H18 — CID 12599925

IUPAC2-prop-2-enylideneadamantane
SMILESC=CC=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H18/c1-2-3-13-11-5-9-4-10(7-11)8-12(13)6-9/h2-3,9-12H,1,4-8H2/b13-3-
InChIKeyNKSZTPMUKGUBDG-DXNYSGJVSA-N
MW174.29 g/mol
LogP3.55
Rot. Bonds1

About 2-prop-2-enylideneadamantane

2-prop-2-enylideneadamantane (PubChem CID 12599925) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-prop-2-enylideneadamantane.

Molecular Properties

Compound Name2-prop-2-enylideneadamantane
PubChem CID12599925
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name2-prop-2-enylideneadamantane
SMILESC=CC=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H18/c1-2-3-13-11-5-9-4-10(7-11)8-12(13)6-9/h2-3,9-12H,1,4-8H2/b13-3-
InChIKeyNKSZTPMUKGUBDG-DXNYSGJVSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylideneadamantane?
The IUPAC name of 2-prop-2-enylideneadamantane (CID 12599925) is 2-prop-2-enylideneadamantane.
What is the SMILES notation for 2-prop-2-enylideneadamantane?
The canonical SMILES for 2-prop-2-enylideneadamantane is C=CC=C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-prop-2-enylideneadamantane?
The InChIKey is NKSZTPMUKGUBDG-DXNYSGJVSA-N. The full InChI is InChI=1S/C13H18/c1-2-3-13-11-5-9-4-10(7-11)8-12(13)6-9/h2-3,9-12H,1,4-8H2/b13-3-.
What are the key properties of 2-prop-2-enylideneadamantane?
2-prop-2-enylideneadamantane has a molecular weight of 174.29 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylideneadamantane is sourced from PubChem (CID 12599925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).