3-(2,2-dimethyloxan-4-yl)prop-2-enamide

C10H17NO2 — CID 3751696

IUPAC3-(2,2-dimethyloxan-4-yl)prop-2-enamide
SMILESCC1(C)CC(C=CC(N)=O)CCO1
InChIInChI=1S/C10H17NO2/c1-10(2)7-8(5-6-13-10)3-4-9(11)12/h3-4,8H,5-7H2,1-2H3,(H2,11,12)
InChIKeyIBBXTABKBOZGAN-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.23
Rot. Bonds2

About 3-(2,2-dimethyloxan-4-yl)prop-2-enamide

3-(2,2-dimethyloxan-4-yl)prop-2-enamide (PubChem CID 3751696) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-(2,2-dimethyloxan-4-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(2,2-dimethyloxan-4-yl)prop-2-enamide
PubChem CID3751696
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-(2,2-dimethyloxan-4-yl)prop-2-enamide
SMILESCC1(C)CC(C=CC(N)=O)CCO1
InChIInChI=1S/C10H17NO2/c1-10(2)7-8(5-6-13-10)3-4-9(11)12/h3-4,8H,5-7H2,1-2H3,(H2,11,12)
InChIKeyIBBXTABKBOZGAN-UHFFFAOYSA-N
XLogP1.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.23
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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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyloxan-4-yl)prop-2-enamide?
The IUPAC name of 3-(2,2-dimethyloxan-4-yl)prop-2-enamide (CID 3751696) is 3-(2,2-dimethyloxan-4-yl)prop-2-enamide.
What is the SMILES notation for 3-(2,2-dimethyloxan-4-yl)prop-2-enamide?
The canonical SMILES for 3-(2,2-dimethyloxan-4-yl)prop-2-enamide is CC1(C)CC(C=CC(N)=O)CCO1.
What is the InChIKey of 3-(2,2-dimethyloxan-4-yl)prop-2-enamide?
The InChIKey is IBBXTABKBOZGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(2)7-8(5-6-13-10)3-4-9(11)12/h3-4,8H,5-7H2,1-2H3,(H2,11,12).
What are the key properties of 3-(2,2-dimethyloxan-4-yl)prop-2-enamide?
3-(2,2-dimethyloxan-4-yl)prop-2-enamide has a molecular weight of 183.25 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyloxan-4-yl)prop-2-enamide is sourced from PubChem (CID 3751696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).