copper(1+);[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]azanide;3,3-dimethylbut-1-ene

C13H23CuN2 — CID 139138689

IUPACcopper(1+);[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]azanide;3,3-dimethylbut-1-ene
SMILESC/C([NH-])=C/C1=NCCC1.C=CC(C)(C)C.[Cu+]
InChIInChI=1S/C7H11N2.C6H12.Cu/c1-6(8)5-7-3-2-4-9-7;1-5-6(2,3)4;/h5,8H,2-4H2,1H3;5H,1H2,2-4H3;/q-1;;+1/b6-5-;;
InChIKeyJLZPELQFPRTKAO-XNOMRPDFSA-N
MW270.89 g/mol
LogP4.39
Rot. Bonds1

About copper(1+);[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]azanide;3,3-dimethylbut-1-ene

copper(1+);[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]azanide;3,3-dimethylbut-1-ene (PubChem CID 139138689) has the molecular formula C13H23CuN2 and a molecular weight of 270.89 g/mol. Its IUPAC name is copper(1+);[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]azanide;3,3-dimethylbut-1-ene.

Molecular Properties

Compound Namecopper(1+);[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]azanide;3,3-dimethylbut-1-ene
PubChem CID139138689
Molecular FormulaC13H23CuN2
Molecular Weight270.89 g/mol
Exact Mass270.12
IUPAC Namecopper(1+);[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]azanide;3,3-dimethylbut-1-ene
SMILESC/C([NH-])=C/C1=NCCC1.C=CC(C)(C)C.[Cu+]
InChIInChI=1S/C7H11N2.C6H12.Cu/c1-6(8)5-7-3-2-4-9-7;1-5-6(2,3)4;/h5,8H,2-4H2,1H3;5H,1H2,2-4H3;/q-1;;+1/b6-5-;;
InChIKeyJLZPELQFPRTKAO-XNOMRPDFSA-N
XLogP4.39
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.89
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper(1+);[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]azanide;3,3-dimethylbut-1-ene?
The IUPAC name of copper(1+);[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]azanide;3,3-dimethylbut-1-ene (CID 139138689) is copper(1+);[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]azanide;3,3-dimethylbut-1-ene.
What is the SMILES notation for copper(1+);[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]azanide;3,3-dimethylbut-1-ene?
The canonical SMILES for copper(1+);[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]azanide;3,3-dimethylbut-1-ene is C/C([NH-])=C/C1=NCCC1.C=CC(C)(C)C.[Cu+].
What is the InChIKey of copper(1+);[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]azanide;3,3-dimethylbut-1-ene?
The InChIKey is JLZPELQFPRTKAO-XNOMRPDFSA-N. The full InChI is InChI=1S/C7H11N2.C6H12.Cu/c1-6(8)5-7-3-2-4-9-7;1-5-6(2,3)4;/h5,8H,2-4H2,1H3;5H,1H2,2-4H3;/q-1;;+1/b6-5-;;.
What are the key properties of copper(1+);[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]azanide;3,3-dimethylbut-1-ene?
copper(1+);[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]azanide;3,3-dimethylbut-1-ene has a molecular weight of 270.89 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]azanide;3,3-dimethylbut-1-ene is sourced from PubChem (CID 139138689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).