8-(dipropylamino)-1,3,6,7,8,9-hexahydrobenzo[e]indol-2-one

C18H26N2O — CID 10016864

IUPAC8-(dipropylamino)-1,3,6,7,8,9-hexahydrobenzo[e]indol-2-one
SMILESCCCN(CCC)C1CCc2ccc3c(c2C1)CC(=O)N3
InChIInChI=1S/C18H26N2O/c1-3-9-20(10-4-2)14-7-5-13-6-8-17-16(15(13)11-14)12-18(21)19-17/h6,8,14H,3-5,7,9-12H2,1-2H3,(H,19,21)
InChIKeyBWVZSNTTXZIRLY-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.16
Rot. Bonds5

About 8-(dipropylamino)-1,3,6,7,8,9-hexahydrobenzo[e]indol-2-one

8-(dipropylamino)-1,3,6,7,8,9-hexahydrobenzo[e]indol-2-one (PubChem CID 10016864) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 8-(dipropylamino)-1,3,6,7,8,9-hexahydrobenzo[e]indol-2-one.

Molecular Properties

Compound Name8-(dipropylamino)-1,3,6,7,8,9-hexahydrobenzo[e]indol-2-one
PubChem CID10016864
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name8-(dipropylamino)-1,3,6,7,8,9-hexahydrobenzo[e]indol-2-one
SMILESCCCN(CCC)C1CCc2ccc3c(c2C1)CC(=O)N3
InChIInChI=1S/C18H26N2O/c1-3-9-20(10-4-2)14-7-5-13-6-8-17-16(15(13)11-14)12-18(21)19-17/h6,8,14H,3-5,7,9-12H2,1-2H3,(H,19,21)
InChIKeyBWVZSNTTXZIRLY-UHFFFAOYSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(dipropylamino)-1,3,6,7,8,9-hexahydrobenzo[e]indol-2-one?
The IUPAC name of 8-(dipropylamino)-1,3,6,7,8,9-hexahydrobenzo[e]indol-2-one (CID 10016864) is 8-(dipropylamino)-1,3,6,7,8,9-hexahydrobenzo[e]indol-2-one.
What is the SMILES notation for 8-(dipropylamino)-1,3,6,7,8,9-hexahydrobenzo[e]indol-2-one?
The canonical SMILES for 8-(dipropylamino)-1,3,6,7,8,9-hexahydrobenzo[e]indol-2-one is CCCN(CCC)C1CCc2ccc3c(c2C1)CC(=O)N3.
What is the InChIKey of 8-(dipropylamino)-1,3,6,7,8,9-hexahydrobenzo[e]indol-2-one?
The InChIKey is BWVZSNTTXZIRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-9-20(10-4-2)14-7-5-13-6-8-17-16(15(13)11-14)12-18(21)19-17/h6,8,14H,3-5,7,9-12H2,1-2H3,(H,19,21).
What are the key properties of 8-(dipropylamino)-1,3,6,7,8,9-hexahydrobenzo[e]indol-2-one?
8-(dipropylamino)-1,3,6,7,8,9-hexahydrobenzo[e]indol-2-one has a molecular weight of 286.42 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dipropylamino)-1,3,6,7,8,9-hexahydrobenzo[e]indol-2-one is sourced from PubChem (CID 10016864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).