(2Z)-2-ethylidene-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-5a,6-dihydrobenzo[cd]indole

C21H23N — CID 138725676

IUPAC(2Z)-2-ethylidene-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-5a,6-dihydrobenzo[cd]indole
SMILESC=C/C=C(\C=C/C)Cn1c2c3c(/c1=C/C)=CC=CC3CC=C2
InChIInChI=1S/C21H23N/c1-4-9-16(10-5-2)15-22-19(6-3)18-13-7-11-17-12-8-14-20(22)21(17)18/h4-11,13-14,17H,1,12,15H2,2-3H3/b10-5-,16-9+,19-6-
InChIKeyUGHXHOARVQEUFO-HWGVNGLFSA-N
MW289.42 g/mol
LogP3.83
Rot. Bonds4

About (2Z)-2-ethylidene-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-5a,6-dihydrobenzo[cd]indole

(2Z)-2-ethylidene-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-5a,6-dihydrobenzo[cd]indole (PubChem CID 138725676) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is (2Z)-2-ethylidene-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-5a,6-dihydrobenzo[cd]indole.

Molecular Properties

Compound Name(2Z)-2-ethylidene-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-5a,6-dihydrobenzo[cd]indole
PubChem CID138725676
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name(2Z)-2-ethylidene-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-5a,6-dihydrobenzo[cd]indole
SMILESC=C/C=C(\C=C/C)Cn1c2c3c(/c1=C/C)=CC=CC3CC=C2
InChIInChI=1S/C21H23N/c1-4-9-16(10-5-2)15-22-19(6-3)18-13-7-11-17-12-8-14-20(22)21(17)18/h4-11,13-14,17H,1,12,15H2,2-3H3/b10-5-,16-9+,19-6-
InChIKeyUGHXHOARVQEUFO-HWGVNGLFSA-N
XLogP3.83
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-allyltetrahydroquinoline
CID 69120580
N-Methyl-tetrahydrochinolin
CID 69139421
N-butyltetrahydroquinoline
CID 70628816
Dimethyl hexahydroquinoline
CID 129883835
6-(2,4-difluoro-6-pent-2-enylcyclohexa-1,3-dien-1-yl)-1-pent-2-enyl-2H-pyridine
CID 129156390
(3Z,6Z)-N-ethyl-4-fluoro-6-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-3-[(6-methylcyclohexa-2,4-dien-1-yl)methyl]-5-methylideneocta-1,3,6-trien-2-amine
CID 132123933
(3Z,6Z)-N-ethyl-4-fluoro-6-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-5-methylidene-3-(3-methyl-2-prop-1-en-2-ylpentyl)octa-1,3,6-trien-2-amine
CID 132123939
(3Z,6Z)-N-[(4,4-dimethylcyclohex-2-en-1-yl)methyl]-N-ethyl-3-[(Z)-1-fluoro-3-methyl-2-methylidenepent-3-enylidene]-4-methylnona-1,6,8-trien-2-amine
CID 132124064
3-Ethyl-6-fluoro-1-azatricyclo[6.3.1.04,12]dodeca-2,6,8(12)-triene
CID 142163112
1-(3,4,4a,5,6,7-Hexahydronaphthalen-2-yl)pyrrolidine
CID 15154047
1-Cyclopropyl-3-ethenyl-6-fluoro-7-methyl-4-methylidene-4a,5-dihydroquinoline
CID 143016677
1-(3,4,4a,5,6,7-Hexahydronaphthalen-1-yl)-2,2-dimethylpyrrolidine
CID 19937285

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethylidene-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-5a,6-dihydrobenzo[cd]indole?
The IUPAC name of (2Z)-2-ethylidene-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-5a,6-dihydrobenzo[cd]indole (CID 138725676) is (2Z)-2-ethylidene-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-5a,6-dihydrobenzo[cd]indole.
What is the SMILES notation for (2Z)-2-ethylidene-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-5a,6-dihydrobenzo[cd]indole?
The canonical SMILES for (2Z)-2-ethylidene-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-5a,6-dihydrobenzo[cd]indole is C=C/C=C(\C=C/C)Cn1c2c3c(/c1=C/C)=CC=CC3CC=C2.
What is the InChIKey of (2Z)-2-ethylidene-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-5a,6-dihydrobenzo[cd]indole?
The InChIKey is UGHXHOARVQEUFO-HWGVNGLFSA-N. The full InChI is InChI=1S/C21H23N/c1-4-9-16(10-5-2)15-22-19(6-3)18-13-7-11-17-12-8-14-20(22)21(17)18/h4-11,13-14,17H,1,12,15H2,2-3H3/b10-5-,16-9+,19-6-.
What are the key properties of (2Z)-2-ethylidene-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-5a,6-dihydrobenzo[cd]indole?
(2Z)-2-ethylidene-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-5a,6-dihydrobenzo[cd]indole has a molecular weight of 289.42 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethylidene-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-5a,6-dihydrobenzo[cd]indole is sourced from PubChem (CID 138725676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).