1,1,3-trimethyl-2-methylidenebenzo[e]indole

C16H17N — CID 10751584

IUPAC1,1,3-trimethyl-2-methylidenebenzo[e]indole
SMILESC=C1N(C)c2ccc3ccccc3c2C1(C)C
InChIInChI=1S/C16H17N/c1-11-16(2,3)15-13-8-6-5-7-12(13)9-10-14(15)17(11)4/h5-10H,1H2,2-4H3
InChIKeyXQWHKLIJFAHNNR-UHFFFAOYSA-N
MW223.32 g/mol
LogP4.08
Rot. Bonds

About 1,1,3-trimethyl-2-methylidenebenzo[e]indole

1,1,3-trimethyl-2-methylidenebenzo[e]indole (PubChem CID 10751584) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 1,1,3-trimethyl-2-methylidenebenzo[e]indole.

Molecular Properties

Compound Name1,1,3-trimethyl-2-methylidenebenzo[e]indole
PubChem CID10751584
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name1,1,3-trimethyl-2-methylidenebenzo[e]indole
SMILESC=C1N(C)c2ccc3ccccc3c2C1(C)C
InChIInChI=1S/C16H17N/c1-11-16(2,3)15-13-8-6-5-7-12(13)9-10-14(15)17(11)4/h5-10H,1H2,2-4H3
InChIKeyXQWHKLIJFAHNNR-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-2-methylidenebenzo[e]indole?
The IUPAC name of 1,1,3-trimethyl-2-methylidenebenzo[e]indole (CID 10751584) is 1,1,3-trimethyl-2-methylidenebenzo[e]indole.
What is the SMILES notation for 1,1,3-trimethyl-2-methylidenebenzo[e]indole?
The canonical SMILES for 1,1,3-trimethyl-2-methylidenebenzo[e]indole is C=C1N(C)c2ccc3ccccc3c2C1(C)C.
What is the InChIKey of 1,1,3-trimethyl-2-methylidenebenzo[e]indole?
The InChIKey is XQWHKLIJFAHNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-11-16(2,3)15-13-8-6-5-7-12(13)9-10-14(15)17(11)4/h5-10H,1H2,2-4H3.
What are the key properties of 1,1,3-trimethyl-2-methylidenebenzo[e]indole?
1,1,3-trimethyl-2-methylidenebenzo[e]indole has a molecular weight of 223.32 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-2-methylidenebenzo[e]indole is sourced from PubChem (CID 10751584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).