1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]ethanone

C19H26N2O — CID 18922713

IUPAC1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]ethanone
SMILESCCCN(CCC)C1Cc2c[nH]c3ccc(C(C)=O)c(c23)C1
InChIInChI=1S/C19H26N2O/c1-4-8-21(9-5-2)15-10-14-12-20-18-7-6-16(13(3)22)17(11-15)19(14)18/h6-7,12,15,20H,4-5,8-11H2,1-3H3
InChIKeyCKYZLYQSDNLGPT-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.96
Rot. Bonds6

About 1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]ethanone

1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]ethanone (PubChem CID 18922713) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]ethanone.

Molecular Properties

Compound Name1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]ethanone
PubChem CID18922713
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]ethanone
SMILESCCCN(CCC)C1Cc2c[nH]c3ccc(C(C)=O)c(c23)C1
InChIInChI=1S/C19H26N2O/c1-4-8-21(9-5-2)15-10-14-12-20-18-7-6-16(13(3)22)17(11-15)19(14)18/h6-7,12,15,20H,4-5,8-11H2,1-3H3
InChIKeyCKYZLYQSDNLGPT-UHFFFAOYSA-N
XLogP3.96
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]ethanone?
The IUPAC name of 1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]ethanone (CID 18922713) is 1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]ethanone.
What is the SMILES notation for 1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]ethanone?
The canonical SMILES for 1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]ethanone is CCCN(CCC)C1Cc2c[nH]c3ccc(C(C)=O)c(c23)C1.
What is the InChIKey of 1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]ethanone?
The InChIKey is CKYZLYQSDNLGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-4-8-21(9-5-2)15-10-14-12-20-18-7-6-16(13(3)22)17(11-15)19(14)18/h6-7,12,15,20H,4-5,8-11H2,1-3H3.
What are the key properties of 1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]ethanone?
1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]ethanone has a molecular weight of 298.43 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]ethanone is sourced from PubChem (CID 18922713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).