2-methoxycycloprop-2-en-1-one

C4H4O2 — CID 140769587

IUPAC2-methoxycycloprop-2-en-1-one
SMILESCOc1cc1=O
InChIInChI=1S/C4H4O2/c1-6-4-2-3(4)5/h2H,1H3
InChIKeyYPPXJQAHVAUMGH-UHFFFAOYSA-N
MW84.07 g/mol
LogP-0.07
Rot. Bonds1

About 2-methoxycycloprop-2-en-1-one

2-methoxycycloprop-2-en-1-one (PubChem CID 140769587) has the molecular formula C4H4O2 and a molecular weight of 84.07 g/mol. Its IUPAC name is 2-methoxycycloprop-2-en-1-one.

Molecular Properties

Compound Name2-methoxycycloprop-2-en-1-one
PubChem CID140769587
Molecular FormulaC4H4O2
Molecular Weight84.07 g/mol
Exact Mass84.02
IUPAC Name2-methoxycycloprop-2-en-1-one
SMILESCOc1cc1=O
InChIInChI=1S/C4H4O2/c1-6-4-2-3(4)5/h2H,1H3
InChIKeyYPPXJQAHVAUMGH-UHFFFAOYSA-N
XLogP-0.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.07
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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6-methoxy-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid
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4,7,11,15,19,23,27,31,35,39,43,45,47,49,51,53,55,57,59,61,63,66-docosamethoxydodecacyclo[40.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41]hexahexaconta-1(44),2,4,6(64),7,9(63),10(62),11,13(61),14(60),15,17(59),18(58),19,21(57),22(56),23,25(55),26,28,30,32,34,36,38,40,42,45,47,49,51,53,65-tritriacontaene
CID 177477117
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CID 11042148
6-bromo-7-methoxybenzo[7]annulen-9-one
CID 121011768
3-methoxy-6,9-dimethyl-1H-1-benzazepine-2,5-dione
CID 10704674
3,4-dimethoxyselenophene
CID 139038228
2,5,8,11,20-pentamethoxyhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene
CID 102452050
2,5-dibromo-4,7-dimethoxycyclohepta-2,4,6-trien-1-one
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Frequently Asked Questions

What is the IUPAC name of 2-methoxycycloprop-2-en-1-one?
The IUPAC name of 2-methoxycycloprop-2-en-1-one (CID 140769587) is 2-methoxycycloprop-2-en-1-one.
What is the SMILES notation for 2-methoxycycloprop-2-en-1-one?
The canonical SMILES for 2-methoxycycloprop-2-en-1-one is COc1cc1=O.
What is the InChIKey of 2-methoxycycloprop-2-en-1-one?
The InChIKey is YPPXJQAHVAUMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O2/c1-6-4-2-3(4)5/h2H,1H3.
What are the key properties of 2-methoxycycloprop-2-en-1-one?
2-methoxycycloprop-2-en-1-one has a molecular weight of 84.07 g/mol, XLogP of -0.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycycloprop-2-en-1-one is sourced from PubChem (CID 140769587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).