methyl 1-(2-chloroprop-1-enyl)cyclopropane-1-carboxylate

C8H11ClO2 — CID 141128148

IUPACmethyl 1-(2-chloroprop-1-enyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C=C(C)Cl)CC1
InChIInChI=1S/C8H11ClO2/c1-6(9)5-8(3-4-8)7(10)11-2/h5H,3-4H2,1-2H3
InChIKeyRSIZDMCQGSQKEP-UHFFFAOYSA-N
MW174.63 g/mol
LogP2.08
Rot. Bonds2

About methyl 1-(2-chloroprop-1-enyl)cyclopropane-1-carboxylate

methyl 1-(2-chloroprop-1-enyl)cyclopropane-1-carboxylate (PubChem CID 141128148) has the molecular formula C8H11ClO2 and a molecular weight of 174.63 g/mol. Its IUPAC name is methyl 1-(2-chloroprop-1-enyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-chloroprop-1-enyl)cyclopropane-1-carboxylate
PubChem CID141128148
Molecular FormulaC8H11ClO2
Molecular Weight174.63 g/mol
Exact Mass174.04
IUPAC Namemethyl 1-(2-chloroprop-1-enyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C=C(C)Cl)CC1
InChIInChI=1S/C8H11ClO2/c1-6(9)5-8(3-4-8)7(10)11-2/h5H,3-4H2,1-2H3
InChIKeyRSIZDMCQGSQKEP-UHFFFAOYSA-N
XLogP2.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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methyl (2S)-2-methyloxirane-2-carboxylate
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methyl 1-amino-3-fluorocyclopentane-1-carboxylate
CID 115012639
ethane;methyl 8-(2-methanimidoylsulfanylethenyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
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methyl 1-(difluoromethyl)cyclopentane-1-carboxylate
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1-chloro-2,2-bis(methoxycarbonyl)cyclopropane-1-carboxylic acid
CID 139621478

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-chloroprop-1-enyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(2-chloroprop-1-enyl)cyclopropane-1-carboxylate (CID 141128148) is methyl 1-(2-chloroprop-1-enyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-chloroprop-1-enyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(2-chloroprop-1-enyl)cyclopropane-1-carboxylate is COC(=O)C1(C=C(C)Cl)CC1.
What is the InChIKey of methyl 1-(2-chloroprop-1-enyl)cyclopropane-1-carboxylate?
The InChIKey is RSIZDMCQGSQKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClO2/c1-6(9)5-8(3-4-8)7(10)11-2/h5H,3-4H2,1-2H3.
What are the key properties of methyl 1-(2-chloroprop-1-enyl)cyclopropane-1-carboxylate?
methyl 1-(2-chloroprop-1-enyl)cyclopropane-1-carboxylate has a molecular weight of 174.63 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-chloroprop-1-enyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 141128148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).