(E)-3-(ethylideneamino)-N-methylprop-2-enamide

C6H10N2O — CID 90249349

IUPAC(E)-3-(ethylideneamino)-N-methylprop-2-enamide
SMILESC/C=N/C=C/C(=O)NC
InChIInChI=1S/C6H10N2O/c1-3-8-5-4-6(9)7-2/h3-5H,1-2H3,(H,7,9)/b5-4+,8-3+
InChIKeyBGVGRRSRUCDNJO-JPXXCTSLSA-N
MW126.16 g/mol
LogP0.34
Rot. Bonds2

About (E)-3-(ethylideneamino)-N-methylprop-2-enamide

(E)-3-(ethylideneamino)-N-methylprop-2-enamide (PubChem CID 90249349) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (E)-3-(ethylideneamino)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(ethylideneamino)-N-methylprop-2-enamide
PubChem CID90249349
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(E)-3-(ethylideneamino)-N-methylprop-2-enamide
SMILESC/C=N/C=C/C(=O)NC
InChIInChI=1S/C6H10N2O/c1-3-8-5-4-6(9)7-2/h3-5H,1-2H3,(H,7,9)/b5-4+,8-3+
InChIKeyBGVGRRSRUCDNJO-JPXXCTSLSA-N
XLogP0.34
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Enteromycin carboxamide
CID 6438253
(z,e)-3-(Methylamino)prop-2-enamide
CID 11182577
1,5-Diazocin-6-one
CID 17968331
1,4-Diazepine-2,5-dione
CID 23149435
3-(Methylamino)prop-2-enamide
CID 73189274
InChI=1/C5H8N2O2/c1-4(8)7-3-2-5(6)9/h2-3H,1H3,(H2,6,9)(H,7,8)/b3-2
CID 5325890
(E)-3-(ethylamino)-N,N-dimethylprop-2-enamide
CID 21718502
(Z)-3-(ethylamino)-N,N-dimethylprop-2-enamide
CID 55298516
(E)-N-methyl-3-(methylamino)prop-2-enamide
CID 12211610
(Z)-N-methyl-3-(methylamino)prop-2-enamide
CID 12211611
(Z)-3-(methylamino)prop-2-enamide
CID 13954286
(E)-3-acetamidoprop-2-enamide
CID 20136626

Frequently Asked Questions

What is the IUPAC name of (E)-3-(ethylideneamino)-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(ethylideneamino)-N-methylprop-2-enamide (CID 90249349) is (E)-3-(ethylideneamino)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(ethylideneamino)-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(ethylideneamino)-N-methylprop-2-enamide is C/C=N/C=C/C(=O)NC.
What is the InChIKey of (E)-3-(ethylideneamino)-N-methylprop-2-enamide?
The InChIKey is BGVGRRSRUCDNJO-JPXXCTSLSA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-8-5-4-6(9)7-2/h3-5H,1-2H3,(H,7,9)/b5-4+,8-3+.
What are the key properties of (E)-3-(ethylideneamino)-N-methylprop-2-enamide?
(E)-3-(ethylideneamino)-N-methylprop-2-enamide has a molecular weight of 126.16 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(ethylideneamino)-N-methylprop-2-enamide is sourced from PubChem (CID 90249349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).