lithium [(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate

C11H20LiNO2 — CID 12901922

IUPAClithium [(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate
SMILESC/C=C/[CH-]OC(=O)N(C(C)C)C(C)C.[Li+]
InChIInChI=1S/C11H20NO2.Li/c1-6-7-8-14-11(13)12(9(2)3)10(4)5;/h6-10H,1-5H3;/q-1;+1/b7-6+;
InChIKeyOWVJEHKIVZOLQA-UHDJGPCESA-N
MW205.23 g/mol
LogP-0.02
Rot. Bonds4

About lithium [(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate

lithium [(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate (PubChem CID 12901922) has the molecular formula C11H20LiNO2 and a molecular weight of 205.23 g/mol. Its IUPAC name is lithium [(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Namelithium [(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate
PubChem CID12901922
Molecular FormulaC11H20LiNO2
Molecular Weight205.23 g/mol
Exact Mass205.17
IUPAC Namelithium [(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate
SMILESC/C=C/[CH-]OC(=O)N(C(C)C)C(C)C.[Li+]
InChIInChI=1S/C11H20NO2.Li/c1-6-7-8-14-11(13)12(9(2)3)10(4)5;/h6-10H,1-5H3;/q-1;+1/b7-6+;
InChIKeyOWVJEHKIVZOLQA-UHDJGPCESA-N
XLogP-0.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diethyl-carbamic acid but-2-enyl ester
CID 6018985
prop-2-enyl N,N-di(propan-2-yl)carbamate
CID 11275447
Carbamic acid, dibutyl-, 2-propenyl ester
CID 225297
[(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate
CID 10888910
[(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate;tris(diethylazanide);titanium(4+)
CID 12768305
3-methylbut-2-enyl N,N-di(propan-2-yl)carbamate
CID 12901923
lithium 3-methylbut-2-enyl N,N-di(propan-2-yl)carbamate
CID 12901924
[(E,2S)-pent-3-en-2-yl] N,N-di(propan-2-yl)carbamate
CID 13459241
[(E)-1-[bis(2-methylpropyl)alumanyl]but-2-enyl] N,N-di(propan-2-yl)carbamate
CID 16695328
But-2-en-1-yl dipropan-2-ylcarbamate
CID 71420949
lithium [(E)-3-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate
CID 134889525
2,3-dimethylbut-2-enyl N,N-di(propan-2-yl)carbamate
CID 135046394

Frequently Asked Questions

What is the IUPAC name of lithium [(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of lithium [(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate (CID 12901922) is lithium [(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for lithium [(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for lithium [(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate is C/C=C/[CH-]OC(=O)N(C(C)C)C(C)C.[Li+].
What is the InChIKey of lithium [(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is OWVJEHKIVZOLQA-UHDJGPCESA-N. The full InChI is InChI=1S/C11H20NO2.Li/c1-6-7-8-14-11(13)12(9(2)3)10(4)5;/h6-10H,1-5H3;/q-1;+1/b7-6+;.
What are the key properties of lithium [(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate?
lithium [(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 205.23 g/mol, XLogP of -0.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 12901922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).