(5E)-4-butyl-5-butylidene-3,4-dihydro-1H-benzo[cd]indole

C19H25N — CID 142489197

IUPAC(5E)-4-butyl-5-butylidene-3,4-dihydro-1H-benzo[cd]indole
SMILESCCC/C=C1/c2cccc3[nH]cc(c23)CC1CCCC
InChIInChI=1S/C19H25N/c1-3-5-8-14-12-15-13-20-18-11-7-10-17(19(15)18)16(14)9-6-4-2/h7,9-11,13-14,20H,3-6,8,12H2,1-2H3/b16-9+
InChIKeyQKCKWJUUMMICPU-CXUHLZMHSA-N
MW267.42 g/mol
LogP5.71
Rot. Bonds5

About (5E)-4-butyl-5-butylidene-3,4-dihydro-1H-benzo[cd]indole

(5E)-4-butyl-5-butylidene-3,4-dihydro-1H-benzo[cd]indole (PubChem CID 142489197) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is (5E)-4-butyl-5-butylidene-3,4-dihydro-1H-benzo[cd]indole.

Molecular Properties

Compound Name(5E)-4-butyl-5-butylidene-3,4-dihydro-1H-benzo[cd]indole
PubChem CID142489197
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name(5E)-4-butyl-5-butylidene-3,4-dihydro-1H-benzo[cd]indole
SMILESCCC/C=C1/c2cccc3[nH]cc(c23)CC1CCCC
InChIInChI=1S/C19H25N/c1-3-5-8-14-12-15-13-20-18-11-7-10-17(19(15)18)16(14)9-6-4-2/h7,9-11,13-14,20H,3-6,8,12H2,1-2H3/b16-9+
InChIKeyQKCKWJUUMMICPU-CXUHLZMHSA-N
XLogP5.71
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(4R)-5-butyl-4-ethyl-1,3,4,5-tetrahydrobenzo[cd]indole
CID 71016251
(4R,5Z)-N-methyl-5-(2-methylpropylidene)-3,4-dihydro-1H-benzo[cd]indol-4-amine
CID 142572317
7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline
CID 166091851
cyclopropane;7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 171536907
(6aR,9S)-7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-amine
CID 70392867
(6aR,9R)-N-butan-2-yl-7-butyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 166091828
(6S)-3,5-dimethyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene
CID 138970687
(4R)-5-[(2S)-2-ethylbut-3-enyl]-4-propyl-1,3,4,5-tetrahydrobenzo[cd]indole
CID 89200286
N-butoxy-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 170723225
(7S)-5-propyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene
CID 53327265
[(6aR,9S)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-7-ium-9-yl]methanol
CID 7059542
(4R)-1,3,4,5-tetrahydrobenzo[cd]indol-4-ol
CID 124707804

Frequently Asked Questions

What is the IUPAC name of (5E)-4-butyl-5-butylidene-3,4-dihydro-1H-benzo[cd]indole?
The IUPAC name of (5E)-4-butyl-5-butylidene-3,4-dihydro-1H-benzo[cd]indole (CID 142489197) is (5E)-4-butyl-5-butylidene-3,4-dihydro-1H-benzo[cd]indole.
What is the SMILES notation for (5E)-4-butyl-5-butylidene-3,4-dihydro-1H-benzo[cd]indole?
The canonical SMILES for (5E)-4-butyl-5-butylidene-3,4-dihydro-1H-benzo[cd]indole is CCC/C=C1/c2cccc3[nH]cc(c23)CC1CCCC.
What is the InChIKey of (5E)-4-butyl-5-butylidene-3,4-dihydro-1H-benzo[cd]indole?
The InChIKey is QKCKWJUUMMICPU-CXUHLZMHSA-N. The full InChI is InChI=1S/C19H25N/c1-3-5-8-14-12-15-13-20-18-11-7-10-17(19(15)18)16(14)9-6-4-2/h7,9-11,13-14,20H,3-6,8,12H2,1-2H3/b16-9+.
What are the key properties of (5E)-4-butyl-5-butylidene-3,4-dihydro-1H-benzo[cd]indole?
(5E)-4-butyl-5-butylidene-3,4-dihydro-1H-benzo[cd]indole has a molecular weight of 267.42 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-butyl-5-butylidene-3,4-dihydro-1H-benzo[cd]indole is sourced from PubChem (CID 142489197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).