2-methylidene-1-phenyl-3H-chromeno[4,3-b]pyrrol-4-one

C18H13NO2 — CID 164681985

IUPAC2-methylidene-1-phenyl-3H-chromeno[4,3-b]pyrrol-4-one
SMILESC=C1Cc2c(c3ccccc3oc2=O)N1c1ccccc1
InChIInChI=1S/C18H13NO2/c1-12-11-15-17(19(12)13-7-3-2-4-8-13)14-9-5-6-10-16(14)21-18(15)20/h2-10H,1,11H2
InChIKeySNNFEBSPVMENIT-UHFFFAOYSA-N
MW275.31 g/mol
LogP4.00
Rot. Bonds1

About 2-methylidene-1-phenyl-3H-chromeno[4,3-b]pyrrol-4-one

2-methylidene-1-phenyl-3H-chromeno[4,3-b]pyrrol-4-one (PubChem CID 164681985) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-methylidene-1-phenyl-3H-chromeno[4,3-b]pyrrol-4-one.

Molecular Properties

Compound Name2-methylidene-1-phenyl-3H-chromeno[4,3-b]pyrrol-4-one
PubChem CID164681985
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name2-methylidene-1-phenyl-3H-chromeno[4,3-b]pyrrol-4-one
SMILESC=C1Cc2c(c3ccccc3oc2=O)N1c1ccccc1
InChIInChI=1S/C18H13NO2/c1-12-11-15-17(19(12)13-7-3-2-4-8-13)14-9-5-6-10-16(14)21-18(15)20/h2-10H,1,11H2
InChIKeySNNFEBSPVMENIT-UHFFFAOYSA-N
XLogP4.00
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-diphenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one
CID 172560960
3-(hydroxymethyl)-4-(4-phenylpiperazin-1-yl)chromen-2-one
CID 134145628
1-(4-methoxyphenyl)-3-phenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one
CID 172560964
1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one
CID 13136922
2-phenyl-[1]benzofuro[2,3-c]pyrrole-1,3-dione
CID 171059839
2,2-diphenyl-3H-furo[3,2-c]chromen-4-one
CID 86000557
1,2-dihydrochromeno[4,3-b]pyridin-5-one
CID 146170101
3-phenyl-1H-benzo[e]indol-2-one
CID 11139819
2-phenyl-3H-[1]benzofuro[2,3-c]pyrrol-1-one
CID 171059840
3-ethenyl-4-phenylchromen-2-one
CID 24787269
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
3-methylidene-1-phenylpyrrolidine-2,5-dione
CID 13108227

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1-phenyl-3H-chromeno[4,3-b]pyrrol-4-one?
The IUPAC name of 2-methylidene-1-phenyl-3H-chromeno[4,3-b]pyrrol-4-one (CID 164681985) is 2-methylidene-1-phenyl-3H-chromeno[4,3-b]pyrrol-4-one.
What is the SMILES notation for 2-methylidene-1-phenyl-3H-chromeno[4,3-b]pyrrol-4-one?
The canonical SMILES for 2-methylidene-1-phenyl-3H-chromeno[4,3-b]pyrrol-4-one is C=C1Cc2c(c3ccccc3oc2=O)N1c1ccccc1.
What is the InChIKey of 2-methylidene-1-phenyl-3H-chromeno[4,3-b]pyrrol-4-one?
The InChIKey is SNNFEBSPVMENIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c1-12-11-15-17(19(12)13-7-3-2-4-8-13)14-9-5-6-10-16(14)21-18(15)20/h2-10H,1,11H2.
What are the key properties of 2-methylidene-1-phenyl-3H-chromeno[4,3-b]pyrrol-4-one?
2-methylidene-1-phenyl-3H-chromeno[4,3-b]pyrrol-4-one has a molecular weight of 275.31 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1-phenyl-3H-chromeno[4,3-b]pyrrol-4-one is sourced from PubChem (CID 164681985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).