2-tert-butyl-4,5-dimethylidene-3,9-dihydrocyclohepta[g]indole

C19H21N — CID 155354793

IUPAC2-tert-butyl-4,5-dimethylidene-3,9-dihydrocyclohepta[g]indole
SMILESC=c1c2c(c3c(c1=C)=CC=CCC=3)N=C(C(C)(C)C)C2
InChIInChI=1S/C19H21N/c1-12-13(2)16-11-17(19(3,4)5)20-18(16)15-10-8-6-7-9-14(12)15/h6-7,9-10H,1-2,8,11H2,3-5H3
InChIKeyVXCYYHLYGLEZQG-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.70
Rot. Bonds

About 2-tert-butyl-4,5-dimethylidene-3,9-dihydrocyclohepta[g]indole

2-tert-butyl-4,5-dimethylidene-3,9-dihydrocyclohepta[g]indole (PubChem CID 155354793) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-tert-butyl-4,5-dimethylidene-3,9-dihydrocyclohepta[g]indole.

Molecular Properties

Compound Name2-tert-butyl-4,5-dimethylidene-3,9-dihydrocyclohepta[g]indole
PubChem CID155354793
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name2-tert-butyl-4,5-dimethylidene-3,9-dihydrocyclohepta[g]indole
SMILESC=c1c2c(c3c(c1=C)=CC=CCC=3)N=C(C(C)(C)C)C2
InChIInChI=1S/C19H21N/c1-12-13(2)16-11-17(19(3,4)5)20-18(16)15-10-8-6-7-9-14(12)15/h6-7,9-10H,1-2,8,11H2,3-5H3
InChIKeyVXCYYHLYGLEZQG-UHFFFAOYSA-N
XLogP1.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5-dimethylidene-3,9-dihydrocyclohepta[g]indole?
The IUPAC name of 2-tert-butyl-4,5-dimethylidene-3,9-dihydrocyclohepta[g]indole (CID 155354793) is 2-tert-butyl-4,5-dimethylidene-3,9-dihydrocyclohepta[g]indole.
What is the SMILES notation for 2-tert-butyl-4,5-dimethylidene-3,9-dihydrocyclohepta[g]indole?
The canonical SMILES for 2-tert-butyl-4,5-dimethylidene-3,9-dihydrocyclohepta[g]indole is C=c1c2c(c3c(c1=C)=CC=CCC=3)N=C(C(C)(C)C)C2.
What is the InChIKey of 2-tert-butyl-4,5-dimethylidene-3,9-dihydrocyclohepta[g]indole?
The InChIKey is VXCYYHLYGLEZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-12-13(2)16-11-17(19(3,4)5)20-18(16)15-10-8-6-7-9-14(12)15/h6-7,9-10H,1-2,8,11H2,3-5H3.
What are the key properties of 2-tert-butyl-4,5-dimethylidene-3,9-dihydrocyclohepta[g]indole?
2-tert-butyl-4,5-dimethylidene-3,9-dihydrocyclohepta[g]indole has a molecular weight of 263.38 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,5-dimethylidene-3,9-dihydrocyclohepta[g]indole is sourced from PubChem (CID 155354793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).