zinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide

C17H34N2OZn — CID 10521635

IUPACzinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide
SMILESCC/C=C(\CCC)[N-]N1CCC[C@H]1COC.[CH2-]CCC.[Zn+2]
InChIInChI=1S/C13H25N2O.C4H9.Zn/c1-4-7-12(8-5-2)14-15-10-6-9-13(15)11-16-3;1-3-4-2;/h7,13H,4-6,8-11H2,1-3H3;1,3-4H2,2H3;/q2*-1;+2/b12-7+;;/t13-;;/m0../s1
InChIKeyTYQAMNNEIMDLST-VDHJBGAKSA-N
MW347.86 g/mol
LogP5.10
Rot. Bonds8

About zinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide

zinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide (PubChem CID 10521635) has the molecular formula C17H34N2OZn and a molecular weight of 347.86 g/mol. Its IUPAC name is zinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide.

Molecular Properties

Compound Namezinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide
PubChem CID10521635
Molecular FormulaC17H34N2OZn
Molecular Weight347.86 g/mol
Exact Mass346.20
IUPAC Namezinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide
SMILESCC/C=C(\CCC)[N-]N1CCC[C@H]1COC.[CH2-]CCC.[Zn+2]
InChIInChI=1S/C13H25N2O.C4H9.Zn/c1-4-7-12(8-5-2)14-15-10-6-9-13(15)11-16-3;1-3-4-2;/h7,13H,4-6,8-11H2,1-3H3;1,3-4H2,2H3;/q2*-1;+2/b12-7+;;/t13-;;/m0../s1
InChIKeyTYQAMNNEIMDLST-VDHJBGAKSA-N
XLogP5.10
TPSA26.57 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.86
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tributyl-[(E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hex-3-en-2-yl]stannane
CID 10907053
Tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-yl]stannane
CID 14250108
Tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-yl]stannane
CID 14250116
tributyl-[(E)-4-[2-(methoxymethyl)pyrrolidin-1-yl]hex-3-en-2-yl]stannane
CID 14250123
(2S)-2-(methoxymethyl)-1-[(E)-pent-2-en-3-yl]pyrrolidine
CID 15372847
Lithium cyclohexa-1,5-dien-1-yl-[2-(methoxymethyl)pyrrolidin-1-yl]azanide
CID 134976056
zinc;butane;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide
CID 10520540
(2S)-N-[(E)-hept-3-en-4-yl]-2-(methoxymethyl)pyrrolidin-1-amine
CID 10521636
chlorozinc(1+);[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide
CID 10806021
(2S)-1-(cyclopenten-1-yl)-2-(methoxymethyl)pyrrolidine
CID 11194686
zinc;butane;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide
CID 15968288
zinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide
CID 15968293

Frequently Asked Questions

What is the IUPAC name of zinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide?
The IUPAC name of zinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide (CID 10521635) is zinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide.
What is the SMILES notation for zinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide?
The canonical SMILES for zinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide is CC/C=C(\CCC)[N-]N1CCC[C@H]1COC.[CH2-]CCC.[Zn+2].
What is the InChIKey of zinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide?
The InChIKey is TYQAMNNEIMDLST-VDHJBGAKSA-N. The full InChI is InChI=1S/C13H25N2O.C4H9.Zn/c1-4-7-12(8-5-2)14-15-10-6-9-13(15)11-16-3;1-3-4-2;/h7,13H,4-6,8-11H2,1-3H3;1,3-4H2,2H3;/q2*-1;+2/b12-7+;;/t13-;;/m0../s1.
What are the key properties of zinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide?
zinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide has a molecular weight of 347.86 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide is sourced from PubChem (CID 10521635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).