chloro 5-(dimethylamino)-2-methylpent-2-enoate

C8H14ClNO2 — CID 141297065

IUPACchloro 5-(dimethylamino)-2-methylpent-2-enoate
SMILESCC(=CCCN(C)C)C(=O)OCl
InChIInChI=1S/C8H14ClNO2/c1-7(8(11)12-9)5-4-6-10(2)3/h5H,4,6H2,1-3H3
InChIKeyIODFMAZJLJTGAO-UHFFFAOYSA-N
MW191.66 g/mol
LogP1.58
Rot. Bonds4

About chloro 5-(dimethylamino)-2-methylpent-2-enoate

chloro 5-(dimethylamino)-2-methylpent-2-enoate (PubChem CID 141297065) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is chloro 5-(dimethylamino)-2-methylpent-2-enoate.

Molecular Properties

Compound Namechloro 5-(dimethylamino)-2-methylpent-2-enoate
PubChem CID141297065
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Namechloro 5-(dimethylamino)-2-methylpent-2-enoate
SMILESCC(=CCCN(C)C)C(=O)OCl
InChIInChI=1S/C8H14ClNO2/c1-7(8(11)12-9)5-4-6-10(2)3/h5H,4,6H2,1-3H3
InChIKeyIODFMAZJLJTGAO-UHFFFAOYSA-N
XLogP1.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

chloromethyl 5-(dimethylamino)-2-methylpent-2-enoate;hydrochloride
CID 175387120
2-methylprop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate
CID 174390387
prop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate
CID 174454118
(dipropylamino) 5-(dimethylamino)-2-methylpent-2-enoate
CID 174759101
5-(dimethylamino)-2-methylpent-2-enamide;hydrochloride
CID 141073365
[chloro(phenyl)methyl] 5-(dimethylamino)-2-methylpent-2-enoate;tetrahydrate
CID 175016372
5-(dimethylamino)-2-methylpent-2-enoic acid;2-methylprop-2-enoic acid
CID 161495453
2-(dimethylamino)ethyl 2-methylpent-2-enoate
CID 91329578
ethyl 5-(diethylamino)-2-methylpent-2-enoate
CID 175173759
5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid
CID 173097530
6-(dimethylamino)-2-methylhex-2-enamide;5-(dimethylamino)-2-methylidenepentanamide;5-(dimethylamino)-2-methylpent-2-enamide
CID 173096321
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl 6-(dimethylamino)-2-methylhex-2-enoate
CID 175427919

Frequently Asked Questions

What is the IUPAC name of chloro 5-(dimethylamino)-2-methylpent-2-enoate?
The IUPAC name of chloro 5-(dimethylamino)-2-methylpent-2-enoate (CID 141297065) is chloro 5-(dimethylamino)-2-methylpent-2-enoate.
What is the SMILES notation for chloro 5-(dimethylamino)-2-methylpent-2-enoate?
The canonical SMILES for chloro 5-(dimethylamino)-2-methylpent-2-enoate is CC(=CCCN(C)C)C(=O)OCl.
What is the InChIKey of chloro 5-(dimethylamino)-2-methylpent-2-enoate?
The InChIKey is IODFMAZJLJTGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO2/c1-7(8(11)12-9)5-4-6-10(2)3/h5H,4,6H2,1-3H3.
What are the key properties of chloro 5-(dimethylamino)-2-methylpent-2-enoate?
chloro 5-(dimethylamino)-2-methylpent-2-enoate has a molecular weight of 191.66 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 5-(dimethylamino)-2-methylpent-2-enoate is sourced from PubChem (CID 141297065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).