(E)-3-methyl-N-[[(3R)-oxan-3-yl]methyl]pent-2-enamide

C12H21NO2 — CID 125144166

IUPAC(E)-3-methyl-N-[[(3R)-oxan-3-yl]methyl]pent-2-enamide
SMILESCC/C(C)=C/C(=O)NC[C@H]1CCCOC1
InChIInChI=1S/C12H21NO2/c1-3-10(2)7-12(14)13-8-11-5-4-6-15-9-11/h7,11H,3-6,8-9H2,1-2H3,(H,13,14)/b10-7+/t11-/m1/s1
InChIKeyDJILVDANRYWMSP-PFEDMVJOSA-N
MW211.30 g/mol
LogP1.89
Rot. Bonds4

About (E)-3-methyl-N-[[(3R)-oxan-3-yl]methyl]pent-2-enamide

(E)-3-methyl-N-[[(3R)-oxan-3-yl]methyl]pent-2-enamide (PubChem CID 125144166) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (E)-3-methyl-N-[[(3R)-oxan-3-yl]methyl]pent-2-enamide.

Molecular Properties

Compound Name(E)-3-methyl-N-[[(3R)-oxan-3-yl]methyl]pent-2-enamide
PubChem CID125144166
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(E)-3-methyl-N-[[(3R)-oxan-3-yl]methyl]pent-2-enamide
SMILESCC/C(C)=C/C(=O)NC[C@H]1CCCOC1
InChIInChI=1S/C12H21NO2/c1-3-10(2)7-12(14)13-8-11-5-4-6-15-9-11/h7,11H,3-6,8-9H2,1-2H3,(H,13,14)/b10-7+/t11-/m1/s1
InChIKeyDJILVDANRYWMSP-PFEDMVJOSA-N
XLogP1.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-(oxan-3-ylmethyl)acetamide
CID 130804735
4-(methylamino)-N-(oxan-3-ylmethyl)butanamide
CID 61019472
1-methyl-3-(oxan-3-ylmethyl)urea
CID 115588448
2,2-dimethyl-3-(oxan-3-ylmethylamino)-3-oxopropanoic acid
CID 82821482
3-amino-3-hydroxyimino-N-(oxan-3-ylmethyl)propanamide
CID 76927279
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
N-(oxolan-3-ylmethyl)but-2-enamide
CID 112727361
N-methyl-4-(oxan-3-ylmethylamino)butanamide
CID 63890126
tert-butyl N-(oxan-3-ylmethyl)carbamate
CID 63788882
N-(oxan-3-ylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61366642
4-(ethylamino)-N-(oxan-3-ylmethyl)benzamide
CID 62175319
1-(oxan-3-yl)butan-2-one
CID 103847209

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-N-[[(3R)-oxan-3-yl]methyl]pent-2-enamide?
The IUPAC name of (E)-3-methyl-N-[[(3R)-oxan-3-yl]methyl]pent-2-enamide (CID 125144166) is (E)-3-methyl-N-[[(3R)-oxan-3-yl]methyl]pent-2-enamide.
What is the SMILES notation for (E)-3-methyl-N-[[(3R)-oxan-3-yl]methyl]pent-2-enamide?
The canonical SMILES for (E)-3-methyl-N-[[(3R)-oxan-3-yl]methyl]pent-2-enamide is CC/C(C)=C/C(=O)NC[C@H]1CCCOC1.
What is the InChIKey of (E)-3-methyl-N-[[(3R)-oxan-3-yl]methyl]pent-2-enamide?
The InChIKey is DJILVDANRYWMSP-PFEDMVJOSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-10(2)7-12(14)13-8-11-5-4-6-15-9-11/h7,11H,3-6,8-9H2,1-2H3,(H,13,14)/b10-7+/t11-/m1/s1.
What are the key properties of (E)-3-methyl-N-[[(3R)-oxan-3-yl]methyl]pent-2-enamide?
(E)-3-methyl-N-[[(3R)-oxan-3-yl]methyl]pent-2-enamide has a molecular weight of 211.30 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-N-[[(3R)-oxan-3-yl]methyl]pent-2-enamide is sourced from PubChem (CID 125144166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).