methyl (Z)-3-(cyclopenten-1-yl)prop-2-enoate

C9H12O2 — CID 5314580

IUPACmethyl (Z)-3-(cyclopenten-1-yl)prop-2-enoate
SMILESCOC(=O)/C=C\C1=CCCC1
InChIInChI=1S/C9H12O2/c1-11-9(10)7-6-8-4-2-3-5-8/h4,6-7H,2-3,5H2,1H3/b7-6-
InChIKeyQTKPJQLBCMHWQI-SREVYHEPSA-N
MW152.19 g/mol
LogP1.83
Rot. Bonds2

About methyl (Z)-3-(cyclopenten-1-yl)prop-2-enoate

methyl (Z)-3-(cyclopenten-1-yl)prop-2-enoate (PubChem CID 5314580) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is methyl (Z)-3-(cyclopenten-1-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(cyclopenten-1-yl)prop-2-enoate
PubChem CID5314580
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Namemethyl (Z)-3-(cyclopenten-1-yl)prop-2-enoate
SMILESCOC(=O)/C=C\C1=CCCC1
InChIInChI=1S/C9H12O2/c1-11-9(10)7-6-8-4-2-3-5-8/h4,6-7H,2-3,5H2,1H3/b7-6-
InChIKeyQTKPJQLBCMHWQI-SREVYHEPSA-N
XLogP1.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.83
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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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(cyclopenten-1-yl)prop-2-enoate?
The IUPAC name of methyl (Z)-3-(cyclopenten-1-yl)prop-2-enoate (CID 5314580) is methyl (Z)-3-(cyclopenten-1-yl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(cyclopenten-1-yl)prop-2-enoate?
The canonical SMILES for methyl (Z)-3-(cyclopenten-1-yl)prop-2-enoate is COC(=O)/C=C\C1=CCCC1.
What is the InChIKey of methyl (Z)-3-(cyclopenten-1-yl)prop-2-enoate?
The InChIKey is QTKPJQLBCMHWQI-SREVYHEPSA-N. The full InChI is InChI=1S/C9H12O2/c1-11-9(10)7-6-8-4-2-3-5-8/h4,6-7H,2-3,5H2,1H3/b7-6-.
What are the key properties of methyl (Z)-3-(cyclopenten-1-yl)prop-2-enoate?
methyl (Z)-3-(cyclopenten-1-yl)prop-2-enoate has a molecular weight of 152.19 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(cyclopenten-1-yl)prop-2-enoate is sourced from PubChem (CID 5314580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).