methyl 2-(1-ethylcyclopropyl)prop-2-enoate

C9H14O2 — CID 91291390

IUPACmethyl 2-(1-ethylcyclopropyl)prop-2-enoate
SMILESC=C(C(=O)OC)C1(CC)CC1
InChIInChI=1S/C9H14O2/c1-4-9(5-6-9)7(2)8(10)11-3/h2,4-6H2,1,3H3
InChIKeyYHYBTSYPBOCCKS-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.91
Rot. Bonds3

About methyl 2-(1-ethylcyclopropyl)prop-2-enoate

methyl 2-(1-ethylcyclopropyl)prop-2-enoate (PubChem CID 91291390) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is methyl 2-(1-ethylcyclopropyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(1-ethylcyclopropyl)prop-2-enoate
PubChem CID91291390
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Namemethyl 2-(1-ethylcyclopropyl)prop-2-enoate
SMILESC=C(C(=O)OC)C1(CC)CC1
InChIInChI=1S/C9H14O2/c1-4-9(5-6-9)7(2)8(10)11-3/h2,4-6H2,1,3H3
InChIKeyYHYBTSYPBOCCKS-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

dihydroxy(oxo)silane;methyl 2-[1-(oxiran-2-ylmethyl)cyclopropyl]prop-2-enoate
CID 88745082
methyl 3-(1-ethylcyclopropyl)-3-oxopropanoate
CID 101145124
methyl 1-(3-methoxy-3-oxoprop-1-en-2-yl)cyclohexane-1-carboxylate
CID 105483862
ethyl 2-[1-[(2H-phosphiren-1-ium-1-ylamino)methyl]cyclopropyl]prop-2-enoate
CID 135302909
hydron;methyl 2-methylidenebutanoate
CID 174760127
methyl 2-methylidenebutanoate;propan-2-one
CID 174771904
iodomethyl 1-ethylcyclopropane-1-carboxylate
CID 139604920
2-chloro-1-(1-ethylcyclopropyl)ethanone
CID 130553979
methyl 2-(2-methyl-2-adamantyl)prop-2-enoate
CID 141134694
dimethyl 3-ethyl-5-methyloxane-3,5-dicarboxylate;methyl 2-(2-methoxycarbonylprop-2-enoxymethyl)prop-2-enoate
CID 158035076
methyl 3-hydroperoxy-2-methylidenepentanoate
CID 11019156
1-(1-ethylcyclopentyl)-2-methoxyethanone
CID 115783356

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-ethylcyclopropyl)prop-2-enoate?
The IUPAC name of methyl 2-(1-ethylcyclopropyl)prop-2-enoate (CID 91291390) is methyl 2-(1-ethylcyclopropyl)prop-2-enoate.
What is the SMILES notation for methyl 2-(1-ethylcyclopropyl)prop-2-enoate?
The canonical SMILES for methyl 2-(1-ethylcyclopropyl)prop-2-enoate is C=C(C(=O)OC)C1(CC)CC1.
What is the InChIKey of methyl 2-(1-ethylcyclopropyl)prop-2-enoate?
The InChIKey is YHYBTSYPBOCCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-4-9(5-6-9)7(2)8(10)11-3/h2,4-6H2,1,3H3.
What are the key properties of methyl 2-(1-ethylcyclopropyl)prop-2-enoate?
methyl 2-(1-ethylcyclopropyl)prop-2-enoate has a molecular weight of 154.21 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-ethylcyclopropyl)prop-2-enoate is sourced from PubChem (CID 91291390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).