8-[prop-2-enyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde

C19H24N2O — CID 10379833

IUPAC8-[prop-2-enyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
SMILESC=CCN(CCC)C1CCc2ccc3[nH]cc(C=O)c3c2C1
InChIInChI=1S/C19H24N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h3,6,8,12-13,16,20H,1,4-5,7,9-11H2,2H3
InChIKeyDBGOPRYLVZPMHQ-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.74
Rot. Bonds6

About 8-[prop-2-enyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde

8-[prop-2-enyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde (PubChem CID 10379833) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 8-[prop-2-enyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde.

Molecular Properties

Compound Name8-[prop-2-enyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
PubChem CID10379833
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name8-[prop-2-enyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
SMILESC=CCN(CCC)C1CCc2ccc3[nH]cc(C=O)c3c2C1
InChIInChI=1S/C19H24N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h3,6,8,12-13,16,20H,1,4-5,7,9-11H2,2H3
InChIKeyDBGOPRYLVZPMHQ-UHFFFAOYSA-N
XLogP3.74
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[prop-2-enyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
The IUPAC name of 8-[prop-2-enyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde (CID 10379833) is 8-[prop-2-enyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde.
What is the SMILES notation for 8-[prop-2-enyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
The canonical SMILES for 8-[prop-2-enyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde is C=CCN(CCC)C1CCc2ccc3[nH]cc(C=O)c3c2C1.
What is the InChIKey of 8-[prop-2-enyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
The InChIKey is DBGOPRYLVZPMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h3,6,8,12-13,16,20H,1,4-5,7,9-11H2,2H3.
What are the key properties of 8-[prop-2-enyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
8-[prop-2-enyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde has a molecular weight of 296.41 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[prop-2-enyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde is sourced from PubChem (CID 10379833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).