lithium cyclohexa-1,5-dien-1-yl-[2-(methoxymethyl)pyrrolidin-1-yl]azanide

C12H19LiN2O — CID 134976056

IUPAClithium cyclohexa-1,5-dien-1-yl-[2-(methoxymethyl)pyrrolidin-1-yl]azanide
SMILESCOCC1CCCN1[N-]C1=CCCC=C1.[Li+]
InChIInChI=1S/C12H19N2O.Li/c1-15-10-12-8-5-9-14(12)13-11-6-3-2-4-7-11;/h3,6-7,12H,2,4-5,8-10H2,1H3;/q-1;+1
InChIKeyWHEUGIKZQMXLKZ-UHFFFAOYSA-N
MW214.24 g/mol
LogP-0.38
Rot. Bonds4

About lithium cyclohexa-1,5-dien-1-yl-[2-(methoxymethyl)pyrrolidin-1-yl]azanide

lithium cyclohexa-1,5-dien-1-yl-[2-(methoxymethyl)pyrrolidin-1-yl]azanide (PubChem CID 134976056) has the molecular formula C12H19LiN2O and a molecular weight of 214.24 g/mol. Its IUPAC name is lithium cyclohexa-1,5-dien-1-yl-[2-(methoxymethyl)pyrrolidin-1-yl]azanide.

Molecular Properties

Compound Namelithium cyclohexa-1,5-dien-1-yl-[2-(methoxymethyl)pyrrolidin-1-yl]azanide
PubChem CID134976056
Molecular FormulaC12H19LiN2O
Molecular Weight214.24 g/mol
Exact Mass214.17
IUPAC Namelithium cyclohexa-1,5-dien-1-yl-[2-(methoxymethyl)pyrrolidin-1-yl]azanide
SMILESCOCC1CCCN1[N-]C1=CCCC=C1.[Li+]
InChIInChI=1S/C12H19N2O.Li/c1-15-10-12-8-5-9-14(12)13-11-6-3-2-4-7-11;/h3,6-7,12H,2,4-5,8-10H2,1H3;/q-1;+1
InChIKeyWHEUGIKZQMXLKZ-UHFFFAOYSA-N
XLogP-0.38
TPSA26.57 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methoxymethyl)-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]pyrrolidine
CID 153334066
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
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
(2S)-2-(methoxymethyl)-N-(5-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-1-amine
CID 15968905
chlorozinc(1+);[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide
CID 15970282
lithium [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methylcyclohexa-1,5-dien-1-yl)azanide
CID 23691350
N-cyclohexa-1,5-dien-1-yl-2-(methoxymethyl)pyrrolidin-1-amine
CID 134976057

Frequently Asked Questions

What is the IUPAC name of lithium cyclohexa-1,5-dien-1-yl-[2-(methoxymethyl)pyrrolidin-1-yl]azanide?
The IUPAC name of lithium cyclohexa-1,5-dien-1-yl-[2-(methoxymethyl)pyrrolidin-1-yl]azanide (CID 134976056) is lithium cyclohexa-1,5-dien-1-yl-[2-(methoxymethyl)pyrrolidin-1-yl]azanide.
What is the SMILES notation for lithium cyclohexa-1,5-dien-1-yl-[2-(methoxymethyl)pyrrolidin-1-yl]azanide?
The canonical SMILES for lithium cyclohexa-1,5-dien-1-yl-[2-(methoxymethyl)pyrrolidin-1-yl]azanide is COCC1CCCN1[N-]C1=CCCC=C1.[Li+].
What is the InChIKey of lithium cyclohexa-1,5-dien-1-yl-[2-(methoxymethyl)pyrrolidin-1-yl]azanide?
The InChIKey is WHEUGIKZQMXLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N2O.Li/c1-15-10-12-8-5-9-14(12)13-11-6-3-2-4-7-11;/h3,6-7,12H,2,4-5,8-10H2,1H3;/q-1;+1.
What are the key properties of lithium cyclohexa-1,5-dien-1-yl-[2-(methoxymethyl)pyrrolidin-1-yl]azanide?
lithium cyclohexa-1,5-dien-1-yl-[2-(methoxymethyl)pyrrolidin-1-yl]azanide has a molecular weight of 214.24 g/mol, XLogP of -0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium cyclohexa-1,5-dien-1-yl-[2-(methoxymethyl)pyrrolidin-1-yl]azanide is sourced from PubChem (CID 134976056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).