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

C14H23CuN2 — CID 176850835

IUPACcopper(1+);[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]azanide;4,4-dimethylpenta-1,2-diene
SMILESC/C([NH-])=C/C1=NCCC1.C=C=CC(C)(C)C.[Cu+]
InChIInChI=1S/C7H11N2.C7H12.Cu/c1-6(8)5-7-3-2-4-9-7;1-5-6-7(2,3)4;/h5,8H,2-4H2,1H3;6H,1H2,2-4H3;/q-1;;+1/b6-5-;;
InChIKeyMVXIPEVXWKLXEI-XNOMRPDFSA-N
MW282.90 g/mol
LogP4.55
Rot. Bonds1

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

copper(1+);[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]azanide;4,4-dimethylpenta-1,2-diene (PubChem CID 176850835) has the molecular formula C14H23CuN2 and a molecular weight of 282.90 g/mol. Its IUPAC name is copper(1+);[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]azanide;4,4-dimethylpenta-1,2-diene.

Molecular Properties

Compound Namecopper(1+);[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]azanide;4,4-dimethylpenta-1,2-diene
PubChem CID176850835
Molecular FormulaC14H23CuN2
Molecular Weight282.90 g/mol
Exact Mass282.12
IUPAC Namecopper(1+);[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]azanide;4,4-dimethylpenta-1,2-diene
SMILESC/C([NH-])=C/C1=NCCC1.C=C=CC(C)(C)C.[Cu+]
InChIInChI=1S/C7H11N2.C7H12.Cu/c1-6(8)5-7-3-2-4-9-7;1-5-6-7(2,3)4;/h5,8H,2-4H2,1H3;6H,1H2,2-4H3;/q-1;;+1/b6-5-;;
InChIKeyMVXIPEVXWKLXEI-XNOMRPDFSA-N
XLogP4.55
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.90
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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;4,4-dimethylpenta-1,2-diene?
The IUPAC name of copper(1+);[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]azanide;4,4-dimethylpenta-1,2-diene (CID 176850835) is copper(1+);[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]azanide;4,4-dimethylpenta-1,2-diene.
What is the SMILES notation for copper(1+);[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]azanide;4,4-dimethylpenta-1,2-diene?
The canonical SMILES for copper(1+);[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]azanide;4,4-dimethylpenta-1,2-diene is C/C([NH-])=C/C1=NCCC1.C=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;4,4-dimethylpenta-1,2-diene?
The InChIKey is MVXIPEVXWKLXEI-XNOMRPDFSA-N. The full InChI is InChI=1S/C7H11N2.C7H12.Cu/c1-6(8)5-7-3-2-4-9-7;1-5-6-7(2,3)4;/h5,8H,2-4H2,1H3;6H,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;4,4-dimethylpenta-1,2-diene?
copper(1+);[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]azanide;4,4-dimethylpenta-1,2-diene has a molecular weight of 282.90 g/mol, XLogP of 4.55, 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;4,4-dimethylpenta-1,2-diene is sourced from PubChem (CID 176850835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).