methyl 2-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)methyl]prop-2-enoate

C10H11NO2 — CID 143895261

IUPACmethyl 2-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)methyl]prop-2-enoate
SMILESC=C(/C=c1/cc[nH]c1=C)C(=O)OC
InChIInChI=1S/C10H11NO2/c1-7(10(12)13-3)6-9-4-5-11-8(9)2/h4-6,11H,1-2H2,3H3/b9-6-
InChIKeyCXZFRXWHXUVLIS-TWGQIWQCSA-N
MW177.20 g/mol
LogP-0.07
Rot. Bonds2

About methyl 2-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)methyl]prop-2-enoate

methyl 2-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)methyl]prop-2-enoate (PubChem CID 143895261) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is methyl 2-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)methyl]prop-2-enoate
PubChem CID143895261
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Namemethyl 2-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)methyl]prop-2-enoate
SMILESC=C(/C=c1/cc[nH]c1=C)C(=O)OC
InChIInChI=1S/C10H11NO2/c1-7(10(12)13-3)6-9-4-5-11-8(9)2/h4-6,11H,1-2H2,3H3/b9-6-
InChIKeyCXZFRXWHXUVLIS-TWGQIWQCSA-N
XLogP-0.07
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl 2-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)methyl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)methyl]prop-2-enoate?
The IUPAC name of methyl 2-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)methyl]prop-2-enoate (CID 143895261) is methyl 2-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)methyl]prop-2-enoate is C=C(/C=c1/cc[nH]c1=C)C(=O)OC.
What is the InChIKey of methyl 2-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)methyl]prop-2-enoate?
The InChIKey is CXZFRXWHXUVLIS-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H11NO2/c1-7(10(12)13-3)6-9-4-5-11-8(9)2/h4-6,11H,1-2H2,3H3/b9-6-.
What are the key properties of methyl 2-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)methyl]prop-2-enoate?
methyl 2-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)methyl]prop-2-enoate has a molecular weight of 177.20 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)methyl]prop-2-enoate is sourced from PubChem (CID 143895261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).