5-[(E)-2-cyclopropylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

C19H24N2 — CID 59455236

IUPAC5-[(E)-2-cyclopropylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESC/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)C1CC1
InChIInChI=1S/C19H24N2/c1-13-4-7-18-16(10-13)17-12-20(3)9-8-19(17)21(18)11-14(2)15-5-6-15/h4,7,10-11,15H,5-6,8-9,12H2,1-3H3/b14-11+
InChIKeySQPPFNCPGURVDL-SDNWHVSQSA-N
MW280.41 g/mol
LogP4.21
Rot. Bonds2

About 5-[(E)-2-cyclopropylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

5-[(E)-2-cyclopropylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 59455236) has the molecular formula C19H24N2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 5-[(E)-2-cyclopropylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[(E)-2-cyclopropylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID59455236
Molecular FormulaC19H24N2
Molecular Weight280.41 g/mol
Exact Mass280.19
IUPAC Name5-[(E)-2-cyclopropylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESC/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)C1CC1
InChIInChI=1S/C19H24N2/c1-13-4-7-18-16(10-13)17-12-20(3)9-8-19(17)21(18)11-14(2)15-5-6-15/h4,7,10-11,15H,5-6,8-9,12H2,1-3H3/b14-11+
InChIKeySQPPFNCPGURVDL-SDNWHVSQSA-N
XLogP4.21
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[(E)-2-cyclopropylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-cyclopropylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 5-[(E)-2-cyclopropylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 59455236) is 5-[(E)-2-cyclopropylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 5-[(E)-2-cyclopropylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 5-[(E)-2-cyclopropylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is C/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)C1CC1.
What is the InChIKey of 5-[(E)-2-cyclopropylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is SQPPFNCPGURVDL-SDNWHVSQSA-N. The full InChI is InChI=1S/C19H24N2/c1-13-4-7-18-16(10-13)17-12-20(3)9-8-19(17)21(18)11-14(2)15-5-6-15/h4,7,10-11,15H,5-6,8-9,12H2,1-3H3/b14-11+.
What are the key properties of 5-[(E)-2-cyclopropylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
5-[(E)-2-cyclopropylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 280.41 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-cyclopropylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 59455236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).