carbonic acid;prop-2-enylcyclopropane

C7H12O3 — CID 67833665

IUPACcarbonic acid;prop-2-enylcyclopropane
SMILESC=CCC1CC1.O=C(O)O
InChIInChI=1S/C6H10.CH2O3/c1-2-3-6-4-5-6;2-1(3)4/h2,6H,1,3-5H2;(H2,2,3,4)
InChIKeyWHCCCSKLVIGQOC-UHFFFAOYSA-N
MW144.17 g/mol
LogP2.19
Rot. Bonds2

About carbonic acid;prop-2-enylcyclopropane

carbonic acid;prop-2-enylcyclopropane (PubChem CID 67833665) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is carbonic acid;prop-2-enylcyclopropane.

Molecular Properties

Compound Namecarbonic acid;prop-2-enylcyclopropane
PubChem CID67833665
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Namecarbonic acid;prop-2-enylcyclopropane
SMILESC=CCC1CC1.O=C(O)O
InChIInChI=1S/C6H10.CH2O3/c1-2-3-6-4-5-6;2-1(3)4/h2,6H,1,3-5H2;(H2,2,3,4)
InChIKeyWHCCCSKLVIGQOC-UHFFFAOYSA-N
XLogP2.19
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Carbonic acid;ethenylcyclopropane
CID 67913452
Carbonic acid;propa-1,2-dienylcyclopropane
CID 88691993
Carbonic acid;4-methylpent-1-ene
CID 158555652
Carbonic acid;3-methylpent-1-ene
CID 160180386

Frequently Asked Questions

What is the IUPAC name of carbonic acid;prop-2-enylcyclopropane?
The IUPAC name of carbonic acid;prop-2-enylcyclopropane (CID 67833665) is carbonic acid;prop-2-enylcyclopropane.
What is the SMILES notation for carbonic acid;prop-2-enylcyclopropane?
The canonical SMILES for carbonic acid;prop-2-enylcyclopropane is C=CCC1CC1.O=C(O)O.
What is the InChIKey of carbonic acid;prop-2-enylcyclopropane?
The InChIKey is WHCCCSKLVIGQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.CH2O3/c1-2-3-6-4-5-6;2-1(3)4/h2,6H,1,3-5H2;(H2,2,3,4).
What are the key properties of carbonic acid;prop-2-enylcyclopropane?
carbonic acid;prop-2-enylcyclopropane has a molecular weight of 144.17 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;prop-2-enylcyclopropane is sourced from PubChem (CID 67833665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).