1-[ethyl(methyl)amino]but-1-en-1-olate

C7H14NO- — CID 123695305

IUPAC1-[ethyl(methyl)amino]but-1-en-1-olate
SMILESCCC=C([O-])N(C)CC
InChIInChI=1S/C7H15NO/c1-4-6-7(9)8(3)5-2/h6,9H,4-5H2,1-3H3/p-1
InChIKeyQFCFETLIEUSPFS-UHFFFAOYSA-M
MW128.19 g/mol
LogP0.55
Rot. Bonds3

About 1-[ethyl(methyl)amino]but-1-en-1-olate

1-[ethyl(methyl)amino]but-1-en-1-olate (PubChem CID 123695305) has the molecular formula C7H14NO- and a molecular weight of 128.19 g/mol. Its IUPAC name is 1-[ethyl(methyl)amino]but-1-en-1-olate.

Molecular Properties

Compound Name1-[ethyl(methyl)amino]but-1-en-1-olate
PubChem CID123695305
Molecular FormulaC7H14NO-
Molecular Weight128.19 g/mol
Exact Mass128.11
IUPAC Name1-[ethyl(methyl)amino]but-1-en-1-olate
SMILESCCC=C([O-])N(C)CC
InChIInChI=1S/C7H15NO/c1-4-6-7(9)8(3)5-2/h6,9H,4-5H2,1-3H3/p-1
InChIKeyQFCFETLIEUSPFS-UHFFFAOYSA-M
XLogP0.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.19
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(E)-1-N,1-N',1-N'-triethyl-1-N-methylbut-1-ene-1,1-diamine
CID 129301990
(E)-2-(diethylamino)pent-2-enoate
CID 23617746
CID 175964810
CID 175964810
(Z)-N,2-diethyl-N-methylpent-2-en-1-amine
CID 176567055
(E)-N-methyl-N-propylhex-3-en-3-amine
CID 155199527
1-N,1-N',2-N-triethyl-1-N,1-N',2-N-trimethyl-2-silylethene-1,1,2-triamine
CID 123712691
(E)-N,N-dimethylpent-2-en-2-amine;hydrochloride
CID 155386234
1,3-diethyl-1,3-dimethylselenourea
CID 134989232
(E)-2-methylpent-2-enoate
CID 7006461
(Z)-1-hydroxy-1-oxopent-2-en-2-olate
CID 54687411
N-ethyl-N-methylbuta-1,3-dien-2-amine
CID 123199652
N'-ethyl-N,N-dimethyl-N'-[(E)-pent-2-en-2-yl]ethane-1,2-diamine
CID 143377806

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(methyl)amino]but-1-en-1-olate?
The IUPAC name of 1-[ethyl(methyl)amino]but-1-en-1-olate (CID 123695305) is 1-[ethyl(methyl)amino]but-1-en-1-olate.
What is the SMILES notation for 1-[ethyl(methyl)amino]but-1-en-1-olate?
The canonical SMILES for 1-[ethyl(methyl)amino]but-1-en-1-olate is CCC=C([O-])N(C)CC.
What is the InChIKey of 1-[ethyl(methyl)amino]but-1-en-1-olate?
The InChIKey is QFCFETLIEUSPFS-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H15NO/c1-4-6-7(9)8(3)5-2/h6,9H,4-5H2,1-3H3/p-1.
What are the key properties of 1-[ethyl(methyl)amino]but-1-en-1-olate?
1-[ethyl(methyl)amino]but-1-en-1-olate has a molecular weight of 128.19 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(methyl)amino]but-1-en-1-olate is sourced from PubChem (CID 123695305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).