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

C13H25ClN2OZn — CID 10806021

IUPACchlorozinc(1+);[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide
SMILESCC/C=C(\CCC)[N-]N1CCC[C@H]1COC.Cl[Zn+]
InChIInChI=1S/C13H25N2O.ClH.Zn/c1-4-7-12(8-5-2)14-15-10-6-9-13(15)11-16-3;;/h7,13H,4-6,8-11H2,1-3H3;1H;/q-1;;+2/p-1/b12-7+;;/t13-;;/m0../s1
InChIKeyADNUJJDTCQJQGU-VDHJBGAKSA-M
MW326.20 g/mol
LogP4.17
Rot. Bonds7

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

chlorozinc(1+);[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide (PubChem CID 10806021) has the molecular formula C13H25ClN2OZn and a molecular weight of 326.20 g/mol. Its IUPAC name is chlorozinc(1+);[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide.

Molecular Properties

Compound Namechlorozinc(1+);[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide
PubChem CID10806021
Molecular FormulaC13H25ClN2OZn
Molecular Weight326.20 g/mol
Exact Mass324.09
IUPAC Namechlorozinc(1+);[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide
SMILESCC/C=C(\CCC)[N-]N1CCC[C@H]1COC.Cl[Zn+]
InChIInChI=1S/C13H25N2O.ClH.Zn/c1-4-7-12(8-5-2)14-15-10-6-9-13(15)11-16-3;;/h7,13H,4-6,8-11H2,1-3H3;1H;/q-1;;+2/p-1/b12-7+;;/t13-;;/m0../s1
InChIKeyADNUJJDTCQJQGU-VDHJBGAKSA-M
XLogP4.17
TPSA26.57 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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
(2E)-2-ethylidene-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine
CID 166984253
(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
(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;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide
CID 10520540
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
(2S)-1-(cyclopenten-1-yl)-2-(methoxymethyl)pyrrolidine
CID 11194686

Frequently Asked Questions

What is the IUPAC name of chlorozinc(1+);[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide?
The IUPAC name of chlorozinc(1+);[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide (CID 10806021) is chlorozinc(1+);[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide.
What is the SMILES notation for chlorozinc(1+);[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide?
The canonical SMILES for chlorozinc(1+);[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide is CC/C=C(\CCC)[N-]N1CCC[C@H]1COC.Cl[Zn+].
What is the InChIKey of chlorozinc(1+);[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide?
The InChIKey is ADNUJJDTCQJQGU-VDHJBGAKSA-M. The full InChI is InChI=1S/C13H25N2O.ClH.Zn/c1-4-7-12(8-5-2)14-15-10-6-9-13(15)11-16-3;;/h7,13H,4-6,8-11H2,1-3H3;1H;/q-1;;+2/p-1/b12-7+;;/t13-;;/m0../s1.
What are the key properties of chlorozinc(1+);[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide?
chlorozinc(1+);[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide has a molecular weight of 326.20 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorozinc(1+);[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide is sourced from PubChem (CID 10806021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).