(E)-N,2-dimethyl-4-(methylideneamino)pent-2-enamide

C8H14N2O — CID 143931882

IUPAC(E)-N,2-dimethyl-4-(methylideneamino)pent-2-enamide
SMILESC=NC(C)/C=C(\C)C(=O)NC
InChIInChI=1S/C8H14N2O/c1-6(8(11)10-4)5-7(2)9-3/h5,7H,3H2,1-2,4H3,(H,10,11)/b6-5+
InChIKeyDRPFKBSUDAWERF-AATRIKPKSA-N
MW154.21 g/mol
LogP0.77
Rot. Bonds3

About (E)-N,2-dimethyl-4-(methylideneamino)pent-2-enamide

(E)-N,2-dimethyl-4-(methylideneamino)pent-2-enamide (PubChem CID 143931882) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (E)-N,2-dimethyl-4-(methylideneamino)pent-2-enamide.

Molecular Properties

Compound Name(E)-N,2-dimethyl-4-(methylideneamino)pent-2-enamide
PubChem CID143931882
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(E)-N,2-dimethyl-4-(methylideneamino)pent-2-enamide
SMILESC=NC(C)/C=C(\C)C(=O)NC
InChIInChI=1S/C8H14N2O/c1-6(8(11)10-4)5-7(2)9-3/h5,7H,3H2,1-2,4H3,(H,10,11)/b6-5+
InChIKeyDRPFKBSUDAWERF-AATRIKPKSA-N
XLogP0.77
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.77
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

(E)-2-methyl-4-(propan-2-ylamino)hex-2-enamide
CID 20096762
(E)-N,2-dimethylhex-2-enamide
CID 21428481
(E)-4-(ethylamino)-2-methylhex-2-enamide
CID 22497376
(E)-2-methyl-4-(methylamino)pent-2-enamide
CID 22497378
N,N',2,6-tetramethylhepta-2,5-dienediamide
CID 53718314
N-methyl-2,3-dihydropyridine-5-carboxamide
CID 53843387
(E)-2-methyl-5-(methylamino)pent-2-enamide
CID 87221394
2-[1-(ethylideneamino)ethyl]-N-methylbut-2-enamide
CID 91470726
N,3-dimethyl-2,3-dihydropyridine-5-carboxamide
CID 123307049
N,2-dimethyl-3,4-dihydro-2H-azepine-6-carboxamide
CID 123450050
(Z)-N-methyl-2-methylidene-4-(methylideneamino)hex-3-enamide
CID 124181980
(E)-4-butan-2-ylimino-2-methyl-N-[(E)-pent-2-enyl]but-2-enamide
CID 124182009

Frequently Asked Questions

What is the IUPAC name of (E)-N,2-dimethyl-4-(methylideneamino)pent-2-enamide?
The IUPAC name of (E)-N,2-dimethyl-4-(methylideneamino)pent-2-enamide (CID 143931882) is (E)-N,2-dimethyl-4-(methylideneamino)pent-2-enamide.
What is the SMILES notation for (E)-N,2-dimethyl-4-(methylideneamino)pent-2-enamide?
The canonical SMILES for (E)-N,2-dimethyl-4-(methylideneamino)pent-2-enamide is C=NC(C)/C=C(\C)C(=O)NC.
What is the InChIKey of (E)-N,2-dimethyl-4-(methylideneamino)pent-2-enamide?
The InChIKey is DRPFKBSUDAWERF-AATRIKPKSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(8(11)10-4)5-7(2)9-3/h5,7H,3H2,1-2,4H3,(H,10,11)/b6-5+.
What are the key properties of (E)-N,2-dimethyl-4-(methylideneamino)pent-2-enamide?
(E)-N,2-dimethyl-4-(methylideneamino)pent-2-enamide has a molecular weight of 154.21 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,2-dimethyl-4-(methylideneamino)pent-2-enamide is sourced from PubChem (CID 143931882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).