4-oxo-1H-chromeno[4,3-b]pyrrole-2-carbaldehyde

C12H7NO3 — CID 15530921

IUPAC4-oxo-1H-chromeno[4,3-b]pyrrole-2-carbaldehyde
SMILESO=Cc1cc2c(=O)oc3ccccc3c2[nH]1
InChIInChI=1S/C12H7NO3/c14-6-7-5-9-11(13-7)8-3-1-2-4-10(8)16-12(9)15/h1-6,13H
InChIKeyBFVDHYMSLALLHD-UHFFFAOYSA-N
MW213.19 g/mol
LogP2.09
Rot. Bonds1

About 4-oxo-1H-chromeno[4,3-b]pyrrole-2-carbaldehyde

4-oxo-1H-chromeno[4,3-b]pyrrole-2-carbaldehyde (PubChem CID 15530921) has the molecular formula C12H7NO3 and a molecular weight of 213.19 g/mol. Its IUPAC name is 4-oxo-1H-chromeno[4,3-b]pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name4-oxo-1H-chromeno[4,3-b]pyrrole-2-carbaldehyde
PubChem CID15530921
Molecular FormulaC12H7NO3
Molecular Weight213.19 g/mol
Exact Mass213.04
IUPAC Name4-oxo-1H-chromeno[4,3-b]pyrrole-2-carbaldehyde
SMILESO=Cc1cc2c(=O)oc3ccccc3c2[nH]1
InChIInChI=1S/C12H7NO3/c14-6-7-5-9-11(13-7)8-3-1-2-4-10(8)16-12(9)15/h1-6,13H
InChIKeyBFVDHYMSLALLHD-UHFFFAOYSA-N
XLogP2.09
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(7Z)-6-methylidene-4-oxo-7-prop-2-enylidene-1H-pyrano[4,3-b]pyrrole-2-carbaldehyde
CID 145414407
8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668
5-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carbaldehyde
CID 115007429
15-oxa-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaen-14-one
CID 118248383
3-phenyl-1H-chromeno[4,3-b]pyrrol-4-one
CID 15419530
3-(ethylamino)-2-oxochromene-4-carbaldehyde
CID 141363714
4-azido-2-oxochromene-3-carbaldehyde
CID 15046363
7-amino-6-oxo-10-sulfanylbenzo[c]chromene-8-carbaldehyde
CID 11601481
3,4-diethylchromen-2-one
CID 11680028
sodium 3-formyl-1-benzofuran-2-thiolate
CID 135057802
furo[3,2-c]chromen-4-one
CID 1488785
5-fluoro-3H-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde
CID 115007665

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1H-chromeno[4,3-b]pyrrole-2-carbaldehyde?
The IUPAC name of 4-oxo-1H-chromeno[4,3-b]pyrrole-2-carbaldehyde (CID 15530921) is 4-oxo-1H-chromeno[4,3-b]pyrrole-2-carbaldehyde.
What is the SMILES notation for 4-oxo-1H-chromeno[4,3-b]pyrrole-2-carbaldehyde?
The canonical SMILES for 4-oxo-1H-chromeno[4,3-b]pyrrole-2-carbaldehyde is O=Cc1cc2c(=O)oc3ccccc3c2[nH]1.
What is the InChIKey of 4-oxo-1H-chromeno[4,3-b]pyrrole-2-carbaldehyde?
The InChIKey is BFVDHYMSLALLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO3/c14-6-7-5-9-11(13-7)8-3-1-2-4-10(8)16-12(9)15/h1-6,13H.
What are the key properties of 4-oxo-1H-chromeno[4,3-b]pyrrole-2-carbaldehyde?
4-oxo-1H-chromeno[4,3-b]pyrrole-2-carbaldehyde has a molecular weight of 213.19 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1H-chromeno[4,3-b]pyrrole-2-carbaldehyde is sourced from PubChem (CID 15530921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).