cyclopropane;[3-(2-oxo-1H-indol-3-ylidene)-1H-2-benzofuran-5-yl]carbamic acid

C20H18N2O4 — CID 71268356

IUPACcyclopropane;[3-(2-oxo-1H-indol-3-ylidene)-1H-2-benzofuran-5-yl]carbamic acid
SMILESC1CC1.O=C(O)Nc1ccc2c(c1)C(=C1C(=O)Nc3ccccc31)OC2
InChIInChI=1S/C17H12N2O4.C3H6/c20-16-14(11-3-1-2-4-13(11)19-16)15-12-7-10(18-17(21)22)6-5-9(12)8-23-15;1-2-3-1/h1-7,18H,8H2,(H,19,20)(H,21,22);1-3H2
InChIKeyAAEVCFULTLDLFA-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.30
Rot. Bonds1

About cyclopropane;[3-(2-oxo-1H-indol-3-ylidene)-1H-2-benzofuran-5-yl]carbamic acid

cyclopropane;[3-(2-oxo-1H-indol-3-ylidene)-1H-2-benzofuran-5-yl]carbamic acid (PubChem CID 71268356) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is cyclopropane;[3-(2-oxo-1H-indol-3-ylidene)-1H-2-benzofuran-5-yl]carbamic acid.

Molecular Properties

Compound Namecyclopropane;[3-(2-oxo-1H-indol-3-ylidene)-1H-2-benzofuran-5-yl]carbamic acid
PubChem CID71268356
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Namecyclopropane;[3-(2-oxo-1H-indol-3-ylidene)-1H-2-benzofuran-5-yl]carbamic acid
SMILESC1CC1.O=C(O)Nc1ccc2c(c1)C(=C1C(=O)Nc3ccccc31)OC2
InChIInChI=1S/C17H12N2O4.C3H6/c20-16-14(11-3-1-2-4-13(11)19-16)15-12-7-10(18-17(21)22)6-5-9(12)8-23-15;1-2-3-1/h1-7,18H,8H2,(H,19,20)(H,21,22);1-3H2
InChIKeyAAEVCFULTLDLFA-UHFFFAOYSA-N
XLogP4.30
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cyclopropane;[3-(2-oxo-1H-indol-3-ylidene)-1H-2-benzofuran-5-yl]carbamic acid 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 cyclopropane;[3-(2-oxo-1H-indol-3-ylidene)-1H-2-benzofuran-5-yl]carbamic acid?
The IUPAC name of cyclopropane;[3-(2-oxo-1H-indol-3-ylidene)-1H-2-benzofuran-5-yl]carbamic acid (CID 71268356) is cyclopropane;[3-(2-oxo-1H-indol-3-ylidene)-1H-2-benzofuran-5-yl]carbamic acid.
What is the SMILES notation for cyclopropane;[3-(2-oxo-1H-indol-3-ylidene)-1H-2-benzofuran-5-yl]carbamic acid?
The canonical SMILES for cyclopropane;[3-(2-oxo-1H-indol-3-ylidene)-1H-2-benzofuran-5-yl]carbamic acid is C1CC1.O=C(O)Nc1ccc2c(c1)C(=C1C(=O)Nc3ccccc31)OC2.
What is the InChIKey of cyclopropane;[3-(2-oxo-1H-indol-3-ylidene)-1H-2-benzofuran-5-yl]carbamic acid?
The InChIKey is AAEVCFULTLDLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O4.C3H6/c20-16-14(11-3-1-2-4-13(11)19-16)15-12-7-10(18-17(21)22)6-5-9(12)8-23-15;1-2-3-1/h1-7,18H,8H2,(H,19,20)(H,21,22);1-3H2.
What are the key properties of cyclopropane;[3-(2-oxo-1H-indol-3-ylidene)-1H-2-benzofuran-5-yl]carbamic acid?
cyclopropane;[3-(2-oxo-1H-indol-3-ylidene)-1H-2-benzofuran-5-yl]carbamic acid has a molecular weight of 350.37 g/mol, XLogP of 4.30, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;[3-(2-oxo-1H-indol-3-ylidene)-1H-2-benzofuran-5-yl]carbamic acid is sourced from PubChem (CID 71268356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).