ethane;(Z)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-methylpent-2-en-1-imine

C17H29N3 — CID 143866477

IUPACethane;(Z)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-methylpent-2-en-1-imine
SMILESCC.CC/C=C(\C=N\C)c1cc2n(c1)CCN(CC)C2
InChIInChI=1S/C15H23N3.C2H6/c1-4-6-13(10-16-3)14-9-15-12-17(5-2)7-8-18(15)11-14;1-2/h6,9-11H,4-5,7-8,12H2,1-3H3;1-2H3/b13-6+,16-10+;
InChIKeyBQKPDKCNXQDWOL-KNIAEAGVSA-N
MW275.44 g/mol
LogP3.84
Rot. Bonds4

About ethane;(Z)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-methylpent-2-en-1-imine

ethane;(Z)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-methylpent-2-en-1-imine (PubChem CID 143866477) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is ethane;(Z)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-methylpent-2-en-1-imine.

Molecular Properties

Compound Nameethane;(Z)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-methylpent-2-en-1-imine
PubChem CID143866477
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Nameethane;(Z)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-methylpent-2-en-1-imine
SMILESCC.CC/C=C(\C=N\C)c1cc2n(c1)CCN(CC)C2
InChIInChI=1S/C15H23N3.C2H6/c1-4-6-13(10-16-3)14-9-15-12-17(5-2)7-8-18(15)11-14;1-2/h6,9-11H,4-5,7-8,12H2,1-3H3;1-2H3/b13-6+,16-10+;
InChIKeyBQKPDKCNXQDWOL-KNIAEAGVSA-N
XLogP3.84
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze ethane;(Z)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-methylpent-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-N-hydroxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-carboxamide
CID 118188255
(1R,2R,3R)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide
CID 90209361
6-ethyl-3-[(E)-1-hydroxybut-1-enyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 167510777
8-ethyl-3-methylsulfanyl-5-[(3E)-penta-1,3-dien-3-yl]-3,6,7,9-tetrahydro-1H-pyrrolo[3,2-h]isoquinolin-2-one
CID 143553140
2-tert-butyl-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 122646722
6-[(2-aminocyclohexyl)amino]-4-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-7-fluoro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 78018757
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
1-ethyl-4-[2-[(E)-oct-3-en-4-yl]phenyl]piperazine;propane
CID 143071663
5,7-dichloro-2-ethyl-3,4-dihydro-1H-isoquinoline
CID 58157202
5-bromo-8-ethyl-3-nitroso-3,6,7,9-tetrahydro-1H-pyrrolo[3,2-h]isoquinolin-2-one
CID 90733323
ethane;2-ethyl-5-methyl-3,4-dihydro-1H-isoquinoline
CID 162382873
1,4-diethylpiperazine;sulfane
CID 177062456

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-methylpent-2-en-1-imine?
The IUPAC name of ethane;(Z)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-methylpent-2-en-1-imine (CID 143866477) is ethane;(Z)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-methylpent-2-en-1-imine.
What is the SMILES notation for ethane;(Z)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-methylpent-2-en-1-imine?
The canonical SMILES for ethane;(Z)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-methylpent-2-en-1-imine is CC.CC/C=C(\C=N\C)c1cc2n(c1)CCN(CC)C2.
What is the InChIKey of ethane;(Z)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-methylpent-2-en-1-imine?
The InChIKey is BQKPDKCNXQDWOL-KNIAEAGVSA-N. The full InChI is InChI=1S/C15H23N3.C2H6/c1-4-6-13(10-16-3)14-9-15-12-17(5-2)7-8-18(15)11-14;1-2/h6,9-11H,4-5,7-8,12H2,1-3H3;1-2H3/b13-6+,16-10+;.
What are the key properties of ethane;(Z)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-methylpent-2-en-1-imine?
ethane;(Z)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-methylpent-2-en-1-imine has a molecular weight of 275.44 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-methylpent-2-en-1-imine is sourced from PubChem (CID 143866477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).