ethyl 2H-indeno[2,1-b]pyrrole-3-carboxylate

C14H13NO2 — CID 70150387

IUPACethyl 2H-indeno[2,1-b]pyrrole-3-carboxylate
SMILESCCOC(=O)N1CC=C2C1=Cc1ccccc12
InChIInChI=1S/C14H13NO2/c1-2-17-14(16)15-8-7-12-11-6-4-3-5-10(11)9-13(12)15/h3-7,9H,2,8H2,1H3
InChIKeyPRJMCSCPTZMRIC-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.90
Rot. Bonds1

About ethyl 2H-indeno[2,1-b]pyrrole-3-carboxylate

ethyl 2H-indeno[2,1-b]pyrrole-3-carboxylate (PubChem CID 70150387) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is ethyl 2H-indeno[2,1-b]pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2H-indeno[2,1-b]pyrrole-3-carboxylate
PubChem CID70150387
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Nameethyl 2H-indeno[2,1-b]pyrrole-3-carboxylate
SMILESCCOC(=O)N1CC=C2C1=Cc1ccccc12
InChIInChI=1S/C14H13NO2/c1-2-17-14(16)15-8-7-12-11-6-4-3-5-10(11)9-13(12)15/h3-7,9H,2,8H2,1H3
InChIKeyPRJMCSCPTZMRIC-UHFFFAOYSA-N
XLogP2.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 18677055
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CID 169410251
ethyl 4H-indeno[1,2-b]pyridine-3-carboxylate
CID 141103661
ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]propanoate
CID 19166860
ethyl 2-hydroxy-2H-quinoline-1-carboxylate
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CID 70358112
ethyl 1H-indene-2-carboxylate
CID 15378309
butyl 2H-quinoline-1-carboxylate
CID 68759380
ethyl 3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxylate
CID 10376695
ethyl N-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]carbamate
CID 594911
benzyl 3-phenyl-1H-isoquinoline-2-carboxylate
CID 44622952
ethyl 4-(2-phosphanylphenyl)benzoate
CID 22374006

Frequently Asked Questions

What is the IUPAC name of ethyl 2H-indeno[2,1-b]pyrrole-3-carboxylate?
The IUPAC name of ethyl 2H-indeno[2,1-b]pyrrole-3-carboxylate (CID 70150387) is ethyl 2H-indeno[2,1-b]pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2H-indeno[2,1-b]pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2H-indeno[2,1-b]pyrrole-3-carboxylate is CCOC(=O)N1CC=C2C1=Cc1ccccc12.
What is the InChIKey of ethyl 2H-indeno[2,1-b]pyrrole-3-carboxylate?
The InChIKey is PRJMCSCPTZMRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-2-17-14(16)15-8-7-12-11-6-4-3-5-10(11)9-13(12)15/h3-7,9H,2,8H2,1H3.
What are the key properties of ethyl 2H-indeno[2,1-b]pyrrole-3-carboxylate?
ethyl 2H-indeno[2,1-b]pyrrole-3-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2H-indeno[2,1-b]pyrrole-3-carboxylate is sourced from PubChem (CID 70150387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).