zinc;butane;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide

C16H30N2OZn — CID 10520540

IUPACzinc;butane;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide
SMILESCOC[C@@H]1CCCN1[N-]C1=CCCCC1.[CH2-]CCC.[Zn+2]
InChIInChI=1S/C12H21N2O.C4H9.Zn/c1-15-10-12-8-5-9-14(12)13-11-6-3-2-4-7-11;1-3-4-2;/h6,12H,2-5,7-10H2,1H3;1,3-4H2,2H3;/q2*-1;+2/t12-;;/m0../s1
InChIKeyXMZZTUQPULDSGD-LTCKWSDVSA-N
MW331.82 g/mol
LogP4.46
Rot. Bonds5

About zinc;butane;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide

zinc;butane;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide (PubChem CID 10520540) has the molecular formula C16H30N2OZn and a molecular weight of 331.82 g/mol. Its IUPAC name is zinc;butane;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide.

Molecular Properties

Compound Namezinc;butane;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide
PubChem CID10520540
Molecular FormulaC16H30N2OZn
Molecular Weight331.82 g/mol
Exact Mass330.16
IUPAC Namezinc;butane;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide
SMILESCOC[C@@H]1CCCN1[N-]C1=CCCCC1.[CH2-]CCC.[Zn+2]
InChIInChI=1S/C12H21N2O.C4H9.Zn/c1-15-10-12-8-5-9-14(12)13-11-6-3-2-4-7-11;1-3-4-2;/h6,12H,2-5,7-10H2,1H3;1,3-4H2,2H3;/q2*-1;+2/t12-;;/m0../s1
InChIKeyXMZZTUQPULDSGD-LTCKWSDVSA-N
XLogP4.46
TPSA26.57 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 54.46
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

(2S)-1-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine
CID 11019768
(2R)-1-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine
CID 12810029
Tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-yl]stannane
CID 14250108
Lithium cyclohexa-1,5-dien-1-yl-[2-(methoxymethyl)pyrrolidin-1-yl]azanide
CID 134976056
(2S)-N-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidin-1-amine
CID 10520541
1-(Cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine
CID 12810028
(2R)-N-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidin-1-amine
CID 90912074
zinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide
CID 10521635
(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
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;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide?
The IUPAC name of zinc;butane;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide (CID 10520540) is zinc;butane;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide.
What is the SMILES notation for zinc;butane;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide?
The canonical SMILES for zinc;butane;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide is COC[C@@H]1CCCN1[N-]C1=CCCCC1.[CH2-]CCC.[Zn+2].
What is the InChIKey of zinc;butane;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide?
The InChIKey is XMZZTUQPULDSGD-LTCKWSDVSA-N. The full InChI is InChI=1S/C12H21N2O.C4H9.Zn/c1-15-10-12-8-5-9-14(12)13-11-6-3-2-4-7-11;1-3-4-2;/h6,12H,2-5,7-10H2,1H3;1,3-4H2,2H3;/q2*-1;+2/t12-;;/m0../s1.
What are the key properties of zinc;butane;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide?
zinc;butane;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide has a molecular weight of 331.82 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;butane;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide is sourced from PubChem (CID 10520540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).