(E)-2-(C,N-dimethylcarbonimidoyl)-N-(oxan-4-yl)pent-2-enamide

C13H22N2O2 — CID 123367278

IUPAC(E)-2-(C,N-dimethylcarbonimidoyl)-N-(oxan-4-yl)pent-2-enamide
SMILESCC/C=C(C(=O)NC1CCOCC1)\C(C)=N\C
InChIInChI=1S/C13H22N2O2/c1-4-5-12(10(2)14-3)13(16)15-11-6-8-17-9-7-11/h5,11H,4,6-9H2,1-3H3,(H,15,16)/b12-5+,14-10+
InChIKeyXRBUHQDRGJWTIT-AXGVLNFASA-N
MW238.33 g/mol
LogP1.71
Rot. Bonds4

About (E)-2-(C,N-dimethylcarbonimidoyl)-N-(oxan-4-yl)pent-2-enamide

(E)-2-(C,N-dimethylcarbonimidoyl)-N-(oxan-4-yl)pent-2-enamide (PubChem CID 123367278) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (E)-2-(C,N-dimethylcarbonimidoyl)-N-(oxan-4-yl)pent-2-enamide.

Molecular Properties

Compound Name(E)-2-(C,N-dimethylcarbonimidoyl)-N-(oxan-4-yl)pent-2-enamide
PubChem CID123367278
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(E)-2-(C,N-dimethylcarbonimidoyl)-N-(oxan-4-yl)pent-2-enamide
SMILESCC/C=C(C(=O)NC1CCOCC1)\C(C)=N\C
InChIInChI=1S/C13H22N2O2/c1-4-5-12(10(2)14-3)13(16)15-11-6-8-17-9-7-11/h5,11H,4,6-9H2,1-3H3,(H,15,16)/b12-5+,14-10+
InChIKeyXRBUHQDRGJWTIT-AXGVLNFASA-N
XLogP1.71
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-[(E)-1-amino-3-methyliminobut-1-en-2-yl]imino-N-(oxolan-3-yl)propanamide
CID 145312592
(E)-N-(4-hydroxycyclohexyl)-2-methylpent-2-enamide
CID 43508881
3-(dimethylamino)-2-methyl-N-(oxan-4-yl)but-2-enamide
CID 123595878
4-ethyl-N-(oxan-4-yl)piperidine-1-carboxamide
CID 128942089
(E)-N-(oxan-4-yl)but-2-enamide
CID 118136876
2-amino-2-methyl-N-(oxan-4-yl)butanamide
CID 79797444
propyl N-(oxan-4-yl)carbamate
CID 89062839
N-(oxan-4-yl)but-3-enamide
CID 134356735
2-ethyl-1-(oxan-4-yl)guanidine
CID 62361758
2-amino-3-methyl-N-(oxan-4-yl)pentanamide
CID 43610144
1-cyclobutyl-3-(oxan-4-yl)urea
CID 115617670
2-methyl-3-(methylamino)-N-(oxan-4-yl)propanamide
CID 79195500

Frequently Asked Questions

What is the IUPAC name of (E)-2-(C,N-dimethylcarbonimidoyl)-N-(oxan-4-yl)pent-2-enamide?
The IUPAC name of (E)-2-(C,N-dimethylcarbonimidoyl)-N-(oxan-4-yl)pent-2-enamide (CID 123367278) is (E)-2-(C,N-dimethylcarbonimidoyl)-N-(oxan-4-yl)pent-2-enamide.
What is the SMILES notation for (E)-2-(C,N-dimethylcarbonimidoyl)-N-(oxan-4-yl)pent-2-enamide?
The canonical SMILES for (E)-2-(C,N-dimethylcarbonimidoyl)-N-(oxan-4-yl)pent-2-enamide is CC/C=C(C(=O)NC1CCOCC1)\C(C)=N\C.
What is the InChIKey of (E)-2-(C,N-dimethylcarbonimidoyl)-N-(oxan-4-yl)pent-2-enamide?
The InChIKey is XRBUHQDRGJWTIT-AXGVLNFASA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-5-12(10(2)14-3)13(16)15-11-6-8-17-9-7-11/h5,11H,4,6-9H2,1-3H3,(H,15,16)/b12-5+,14-10+.
What are the key properties of (E)-2-(C,N-dimethylcarbonimidoyl)-N-(oxan-4-yl)pent-2-enamide?
(E)-2-(C,N-dimethylcarbonimidoyl)-N-(oxan-4-yl)pent-2-enamide has a molecular weight of 238.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(C,N-dimethylcarbonimidoyl)-N-(oxan-4-yl)pent-2-enamide is sourced from PubChem (CID 123367278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).