6-methyl-2,3,4,9-tetrahydro-1H-carbazole;(4Z,6E)-2,7,8,8-tetramethyl-3-methylidenenona-1,4,6-triene

C27H37N — CID 153392437

IUPAC6-methyl-2,3,4,9-tetrahydro-1H-carbazole;(4Z,6E)-2,7,8,8-tetramethyl-3-methylidenenona-1,4,6-triene
SMILESC=C(C)C(=C)/C=C\C=C(/C)C(C)(C)C.Cc1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C14H22.C13H15N/c1-11(2)12(3)9-8-10-13(4)14(5,6)7;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h8-10H,1,3H2,2,4-7H3;6-8,14H,2-5H2,1H3/b9-8-,13-10+;
InChIKeyDOFUDYLZBLEWSM-CVMRJGQRSA-N
MW375.60 g/mol
LogP8.02
Rot. Bonds3

About 6-methyl-2,3,4,9-tetrahydro-1H-carbazole;(4Z,6E)-2,7,8,8-tetramethyl-3-methylidenenona-1,4,6-triene

6-methyl-2,3,4,9-tetrahydro-1H-carbazole;(4Z,6E)-2,7,8,8-tetramethyl-3-methylidenenona-1,4,6-triene (PubChem CID 153392437) has the molecular formula C27H37N and a molecular weight of 375.60 g/mol. Its IUPAC name is 6-methyl-2,3,4,9-tetrahydro-1H-carbazole;(4Z,6E)-2,7,8,8-tetramethyl-3-methylidenenona-1,4,6-triene.

Molecular Properties

Compound Name6-methyl-2,3,4,9-tetrahydro-1H-carbazole;(4Z,6E)-2,7,8,8-tetramethyl-3-methylidenenona-1,4,6-triene
PubChem CID153392437
Molecular FormulaC27H37N
Molecular Weight375.60 g/mol
Exact Mass375.29
IUPAC Name6-methyl-2,3,4,9-tetrahydro-1H-carbazole;(4Z,6E)-2,7,8,8-tetramethyl-3-methylidenenona-1,4,6-triene
SMILESC=C(C)C(=C)/C=C\C=C(/C)C(C)(C)C.Cc1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C14H22.C13H15N/c1-11(2)12(3)9-8-10-13(4)14(5,6)7;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h8-10H,1,3H2,2,4-7H3;6-8,14H,2-5H2,1H3/b9-8-,13-10+;
InChIKeyDOFUDYLZBLEWSM-CVMRJGQRSA-N
XLogP8.02
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 58.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3,4,9-tetrahydro-1H-carbazole;(4Z,6E)-2,7,8,8-tetramethyl-3-methylidenenona-1,4,6-triene?
The IUPAC name of 6-methyl-2,3,4,9-tetrahydro-1H-carbazole;(4Z,6E)-2,7,8,8-tetramethyl-3-methylidenenona-1,4,6-triene (CID 153392437) is 6-methyl-2,3,4,9-tetrahydro-1H-carbazole;(4Z,6E)-2,7,8,8-tetramethyl-3-methylidenenona-1,4,6-triene.
What is the SMILES notation for 6-methyl-2,3,4,9-tetrahydro-1H-carbazole;(4Z,6E)-2,7,8,8-tetramethyl-3-methylidenenona-1,4,6-triene?
The canonical SMILES for 6-methyl-2,3,4,9-tetrahydro-1H-carbazole;(4Z,6E)-2,7,8,8-tetramethyl-3-methylidenenona-1,4,6-triene is C=C(C)C(=C)/C=C\C=C(/C)C(C)(C)C.Cc1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of 6-methyl-2,3,4,9-tetrahydro-1H-carbazole;(4Z,6E)-2,7,8,8-tetramethyl-3-methylidenenona-1,4,6-triene?
The InChIKey is DOFUDYLZBLEWSM-CVMRJGQRSA-N. The full InChI is InChI=1S/C14H22.C13H15N/c1-11(2)12(3)9-8-10-13(4)14(5,6)7;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h8-10H,1,3H2,2,4-7H3;6-8,14H,2-5H2,1H3/b9-8-,13-10+;.
What are the key properties of 6-methyl-2,3,4,9-tetrahydro-1H-carbazole;(4Z,6E)-2,7,8,8-tetramethyl-3-methylidenenona-1,4,6-triene?
6-methyl-2,3,4,9-tetrahydro-1H-carbazole;(4Z,6E)-2,7,8,8-tetramethyl-3-methylidenenona-1,4,6-triene has a molecular weight of 375.60 g/mol, XLogP of 8.02, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3,4,9-tetrahydro-1H-carbazole;(4Z,6E)-2,7,8,8-tetramethyl-3-methylidenenona-1,4,6-triene is sourced from PubChem (CID 153392437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).