cyclopropyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone

C10H12O2 — CID 150350050

IUPACcyclopropyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone
SMILESCOC1(C(=O)C2CC2)C=CC=C1
InChIInChI=1S/C10H12O2/c1-12-10(6-2-3-7-10)9(11)8-4-5-8/h2-3,6-8H,4-5H2,1H3
InChIKeyGTNXMORPLQAABX-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.48
Rot. Bonds3

About cyclopropyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone

cyclopropyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone (PubChem CID 150350050) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is cyclopropyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone
PubChem CID150350050
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Namecyclopropyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone
SMILESCOC1(C(=O)C2CC2)C=CC=C1
InChIInChI=1S/C10H12O2/c1-12-10(6-2-3-7-10)9(11)8-4-5-8/h2-3,6-8H,4-5H2,1H3
InChIKeyGTNXMORPLQAABX-UHFFFAOYSA-N
XLogP1.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone?
The IUPAC name of cyclopropyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone (CID 150350050) is cyclopropyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone.
What is the SMILES notation for cyclopropyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone?
The canonical SMILES for cyclopropyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone is COC1(C(=O)C2CC2)C=CC=C1.
What is the InChIKey of cyclopropyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone?
The InChIKey is GTNXMORPLQAABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-12-10(6-2-3-7-10)9(11)8-4-5-8/h2-3,6-8H,4-5H2,1H3.
What are the key properties of cyclopropyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone?
cyclopropyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone has a molecular weight of 164.20 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone is sourced from PubChem (CID 150350050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).