1,6-dimethyl-8,9,10,11-tetrahydro-7H-pyrano[2,3-c]carbazol-3-one

C17H17NO2 — CID 3272254

IUPAC1,6-dimethyl-8,9,10,11-tetrahydro-7H-pyrano[2,3-c]carbazol-3-one
SMILESCc1cc2oc(=O)cc(C)c2c2c3c([nH]c12)CCCC3
InChIInChI=1S/C17H17NO2/c1-9-8-14(19)20-13-7-10(2)17-16(15(9)13)11-5-3-4-6-12(11)18-17/h7-8,18H,3-6H2,1-2H3
InChIKeyNGEWVIJBCBCZSO-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.77
Rot. Bonds

About 1,6-dimethyl-8,9,10,11-tetrahydro-7H-pyrano[2,3-c]carbazol-3-one

1,6-dimethyl-8,9,10,11-tetrahydro-7H-pyrano[2,3-c]carbazol-3-one (PubChem CID 3272254) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1,6-dimethyl-8,9,10,11-tetrahydro-7H-pyrano[2,3-c]carbazol-3-one.

Molecular Properties

Compound Name1,6-dimethyl-8,9,10,11-tetrahydro-7H-pyrano[2,3-c]carbazol-3-one
PubChem CID3272254
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1,6-dimethyl-8,9,10,11-tetrahydro-7H-pyrano[2,3-c]carbazol-3-one
SMILESCc1cc2oc(=O)cc(C)c2c2c3c([nH]c12)CCCC3
InChIInChI=1S/C17H17NO2/c1-9-8-14(19)20-13-7-10(2)17-16(15(9)13)11-5-3-4-6-12(11)18-17/h7-8,18H,3-6H2,1-2H3
InChIKeyNGEWVIJBCBCZSO-UHFFFAOYSA-N
XLogP3.77
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-8,9,10,11-tetrahydro-7H-pyrano[2,3-c]carbazol-3-one?
The IUPAC name of 1,6-dimethyl-8,9,10,11-tetrahydro-7H-pyrano[2,3-c]carbazol-3-one (CID 3272254) is 1,6-dimethyl-8,9,10,11-tetrahydro-7H-pyrano[2,3-c]carbazol-3-one.
What is the SMILES notation for 1,6-dimethyl-8,9,10,11-tetrahydro-7H-pyrano[2,3-c]carbazol-3-one?
The canonical SMILES for 1,6-dimethyl-8,9,10,11-tetrahydro-7H-pyrano[2,3-c]carbazol-3-one is Cc1cc2oc(=O)cc(C)c2c2c3c([nH]c12)CCCC3.
What is the InChIKey of 1,6-dimethyl-8,9,10,11-tetrahydro-7H-pyrano[2,3-c]carbazol-3-one?
The InChIKey is NGEWVIJBCBCZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-9-8-14(19)20-13-7-10(2)17-16(15(9)13)11-5-3-4-6-12(11)18-17/h7-8,18H,3-6H2,1-2H3.
What are the key properties of 1,6-dimethyl-8,9,10,11-tetrahydro-7H-pyrano[2,3-c]carbazol-3-one?
1,6-dimethyl-8,9,10,11-tetrahydro-7H-pyrano[2,3-c]carbazol-3-one has a molecular weight of 267.33 g/mol, XLogP of 3.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-8,9,10,11-tetrahydro-7H-pyrano[2,3-c]carbazol-3-one is sourced from PubChem (CID 3272254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).