carbonic acid;propa-1,2-dienylcyclopropane

C7H10O3 — CID 88691993

IUPACcarbonic acid;propa-1,2-dienylcyclopropane
SMILESC=C=CC1CC1.O=C(O)O
InChIInChI=1S/C6H8.CH2O3/c1-2-3-6-4-5-6;2-1(3)4/h3,6H,1,4-5H2;(H2,2,3,4)
InChIKeyAEPWSVAYVGZJLT-UHFFFAOYSA-N
MW142.15 g/mol
LogP1.96
Rot. Bonds1

About carbonic acid;propa-1,2-dienylcyclopropane

carbonic acid;propa-1,2-dienylcyclopropane (PubChem CID 88691993) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is carbonic acid;propa-1,2-dienylcyclopropane.

Molecular Properties

Compound Namecarbonic acid;propa-1,2-dienylcyclopropane
PubChem CID88691993
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Namecarbonic acid;propa-1,2-dienylcyclopropane
SMILESC=C=CC1CC1.O=C(O)O
InChIInChI=1S/C6H8.CH2O3/c1-2-3-6-4-5-6;2-1(3)4/h3,6H,1,4-5H2;(H2,2,3,4)
InChIKeyAEPWSVAYVGZJLT-UHFFFAOYSA-N
XLogP1.96
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;propa-1,2-dienylcyclopropane?
The IUPAC name of carbonic acid;propa-1,2-dienylcyclopropane (CID 88691993) is carbonic acid;propa-1,2-dienylcyclopropane.
What is the SMILES notation for carbonic acid;propa-1,2-dienylcyclopropane?
The canonical SMILES for carbonic acid;propa-1,2-dienylcyclopropane is C=C=CC1CC1.O=C(O)O.
What is the InChIKey of carbonic acid;propa-1,2-dienylcyclopropane?
The InChIKey is AEPWSVAYVGZJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8.CH2O3/c1-2-3-6-4-5-6;2-1(3)4/h3,6H,1,4-5H2;(H2,2,3,4).
What are the key properties of carbonic acid;propa-1,2-dienylcyclopropane?
carbonic acid;propa-1,2-dienylcyclopropane has a molecular weight of 142.15 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;propa-1,2-dienylcyclopropane is sourced from PubChem (CID 88691993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).