1-benzyl-3,3-dimethyl-2-prop-2-enyl-2H-indole

C20H23N — CID 11087073

IUPAC1-benzyl-3,3-dimethyl-2-prop-2-enyl-2H-indole
SMILESC=CCC1N(Cc2ccccc2)c2ccccc2C1(C)C
InChIInChI=1S/C20H23N/c1-4-10-19-20(2,3)17-13-8-9-14-18(17)21(19)15-16-11-6-5-7-12-16/h4-9,11-14,19H,1,10,15H2,2-3H3
InChIKeyOKUNXANZLAKIKQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.93
Rot. Bonds4

About 1-benzyl-3,3-dimethyl-2-prop-2-enyl-2H-indole

1-benzyl-3,3-dimethyl-2-prop-2-enyl-2H-indole (PubChem CID 11087073) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-benzyl-3,3-dimethyl-2-prop-2-enyl-2H-indole.

Molecular Properties

Compound Name1-benzyl-3,3-dimethyl-2-prop-2-enyl-2H-indole
PubChem CID11087073
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name1-benzyl-3,3-dimethyl-2-prop-2-enyl-2H-indole
SMILESC=CCC1N(Cc2ccccc2)c2ccccc2C1(C)C
InChIInChI=1S/C20H23N/c1-4-10-19-20(2,3)17-13-8-9-14-18(17)21(19)15-16-11-6-5-7-12-16/h4-9,11-14,19H,1,10,15H2,2-3H3
InChIKeyOKUNXANZLAKIKQ-UHFFFAOYSA-N
XLogP4.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,3-dimethyl-2-prop-2-enyl-2H-indole?
The IUPAC name of 1-benzyl-3,3-dimethyl-2-prop-2-enyl-2H-indole (CID 11087073) is 1-benzyl-3,3-dimethyl-2-prop-2-enyl-2H-indole.
What is the SMILES notation for 1-benzyl-3,3-dimethyl-2-prop-2-enyl-2H-indole?
The canonical SMILES for 1-benzyl-3,3-dimethyl-2-prop-2-enyl-2H-indole is C=CCC1N(Cc2ccccc2)c2ccccc2C1(C)C.
What is the InChIKey of 1-benzyl-3,3-dimethyl-2-prop-2-enyl-2H-indole?
The InChIKey is OKUNXANZLAKIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-4-10-19-20(2,3)17-13-8-9-14-18(17)21(19)15-16-11-6-5-7-12-16/h4-9,11-14,19H,1,10,15H2,2-3H3.
What are the key properties of 1-benzyl-3,3-dimethyl-2-prop-2-enyl-2H-indole?
1-benzyl-3,3-dimethyl-2-prop-2-enyl-2H-indole has a molecular weight of 277.41 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,3-dimethyl-2-prop-2-enyl-2H-indole is sourced from PubChem (CID 11087073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).