6-methyl-N-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-imine

C16H18N2 — CID 135472708

IUPAC6-methyl-N-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-imine
SMILESC=CC/N=C1\CCCc2c1[nH]c1ccc(C)cc21
InChIInChI=1S/C16H18N2/c1-3-9-17-15-6-4-5-12-13-10-11(2)7-8-14(13)18-16(12)15/h3,7-8,10,18H,1,4-6,9H2,2H3/b17-15+
InChIKeyIRKTWJWJWCWLAS-BMRADRMJSA-N
MW238.33 g/mol
LogP3.79
Rot. Bonds2

About 6-methyl-N-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-imine

6-methyl-N-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-imine (PubChem CID 135472708) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 6-methyl-N-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-imine.

Molecular Properties

Compound Name6-methyl-N-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-imine
PubChem CID135472708
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name6-methyl-N-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-imine
SMILESC=CC/N=C1\CCCc2c1[nH]c1ccc(C)cc21
InChIInChI=1S/C16H18N2/c1-3-9-17-15-6-4-5-12-13-10-11(2)7-8-14(13)18-16(12)15/h3,7-8,10,18H,1,4-6,9H2,2H3/b17-15+
InChIKeyIRKTWJWJWCWLAS-BMRADRMJSA-N
XLogP3.79
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-imine?
The IUPAC name of 6-methyl-N-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-imine (CID 135472708) is 6-methyl-N-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-imine.
What is the SMILES notation for 6-methyl-N-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-imine?
The canonical SMILES for 6-methyl-N-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-imine is C=CC/N=C1\CCCc2c1[nH]c1ccc(C)cc21.
What is the InChIKey of 6-methyl-N-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-imine?
The InChIKey is IRKTWJWJWCWLAS-BMRADRMJSA-N. The full InChI is InChI=1S/C16H18N2/c1-3-9-17-15-6-4-5-12-13-10-11(2)7-8-14(13)18-16(12)15/h3,7-8,10,18H,1,4-6,9H2,2H3/b17-15+.
What are the key properties of 6-methyl-N-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-imine?
6-methyl-N-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-imine has a molecular weight of 238.33 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-imine is sourced from PubChem (CID 135472708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).