8,9-bis(ethenyl)-4-methyl-7H-pyrano[2,3-e]indol-2-one

C16H13NO2 — CID 143912464

IUPAC8,9-bis(ethenyl)-4-methyl-7H-pyrano[2,3-e]indol-2-one
SMILESC=Cc1[nH]c2ccc3c(C)cc(=O)oc3c2c1C=C
InChIInChI=1S/C16H13NO2/c1-4-10-12(5-2)17-13-7-6-11-9(3)8-14(18)19-16(11)15(10)13/h4-8,17H,1-2H2,3H3
InChIKeyGLZGTFAHMANXSG-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.87
Rot. Bonds2

About 8,9-bis(ethenyl)-4-methyl-7H-pyrano[2,3-e]indol-2-one

8,9-bis(ethenyl)-4-methyl-7H-pyrano[2,3-e]indol-2-one (PubChem CID 143912464) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 8,9-bis(ethenyl)-4-methyl-7H-pyrano[2,3-e]indol-2-one.

Molecular Properties

Compound Name8,9-bis(ethenyl)-4-methyl-7H-pyrano[2,3-e]indol-2-one
PubChem CID143912464
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name8,9-bis(ethenyl)-4-methyl-7H-pyrano[2,3-e]indol-2-one
SMILESC=Cc1[nH]c2ccc3c(C)cc(=O)oc3c2c1C=C
InChIInChI=1S/C16H13NO2/c1-4-10-12(5-2)17-13-7-6-11-9(3)8-14(18)19-16(11)15(10)13/h4-8,17H,1-2H2,3H3
InChIKeyGLZGTFAHMANXSG-UHFFFAOYSA-N
XLogP3.87
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

18-methyl-7,15-dioxa-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),17,20-octaene-6,16-dione
CID 11666843
4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
CID 1234115
17,18-dichloro-7-methyl-4-oxa-12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),6,9,13,15,17,19-nonaen-5-one
CID 102288339
9-amino-4,8-dimethylfuro[2,3-h]chromen-2-one
CID 131858865
4-[(1Z)-buta-1,3-dienyl]-2,3-bis(ethenyl)-5-methyl-1H-indole
CID 145345751
2-ethenyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one
CID 134912214
ethane;2,3,7,8-tetrakis(ethenyl)-6H-thieno[2,3-e]indole
CID 144512484
4-methyl-7,8-bis(prop-2-enoxy)chromen-2-one
CID 3998544
5,6-bis(ethenyl)-4-methylpyran-2-one
CID 134344614
4-methylpyrano[2,3-f]chromene-2,8-dione
CID 13165001
4-methylpyrano[2,3-a]xanthene-2,12-dione
CID 13270680
4-methyl-2,10-dioxopyrano[2,3-f]chromene-8-carboxylate
CID 6975739

Frequently Asked Questions

What is the IUPAC name of 8,9-bis(ethenyl)-4-methyl-7H-pyrano[2,3-e]indol-2-one?
The IUPAC name of 8,9-bis(ethenyl)-4-methyl-7H-pyrano[2,3-e]indol-2-one (CID 143912464) is 8,9-bis(ethenyl)-4-methyl-7H-pyrano[2,3-e]indol-2-one.
What is the SMILES notation for 8,9-bis(ethenyl)-4-methyl-7H-pyrano[2,3-e]indol-2-one?
The canonical SMILES for 8,9-bis(ethenyl)-4-methyl-7H-pyrano[2,3-e]indol-2-one is C=Cc1[nH]c2ccc3c(C)cc(=O)oc3c2c1C=C.
What is the InChIKey of 8,9-bis(ethenyl)-4-methyl-7H-pyrano[2,3-e]indol-2-one?
The InChIKey is GLZGTFAHMANXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-4-10-12(5-2)17-13-7-6-11-9(3)8-14(18)19-16(11)15(10)13/h4-8,17H,1-2H2,3H3.
What are the key properties of 8,9-bis(ethenyl)-4-methyl-7H-pyrano[2,3-e]indol-2-one?
8,9-bis(ethenyl)-4-methyl-7H-pyrano[2,3-e]indol-2-one has a molecular weight of 251.28 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-bis(ethenyl)-4-methyl-7H-pyrano[2,3-e]indol-2-one is sourced from PubChem (CID 143912464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).