N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-prop-2-enoxyformamide

C11H18N2O2 — CID 142314295

IUPACN-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-prop-2-enoxyformamide
SMILESC=CCON(C=O)C1C=C(C)CN(C)C1
InChIInChI=1S/C11H18N2O2/c1-4-5-15-13(9-14)11-6-10(2)7-12(3)8-11/h4,6,9,11H,1,5,7-8H2,2-3H3
InChIKeyKTUCXZHQMVKRQU-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.82
Rot. Bonds5

About N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-prop-2-enoxyformamide

N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-prop-2-enoxyformamide (PubChem CID 142314295) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-prop-2-enoxyformamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-prop-2-enoxyformamide
PubChem CID142314295
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-prop-2-enoxyformamide
SMILESC=CCON(C=O)C1C=C(C)CN(C)C1
InChIInChI=1S/C11H18N2O2/c1-4-5-15-13(9-14)11-6-10(2)7-12(3)8-11/h4,6,9,11H,1,5,7-8H2,2-3H3
InChIKeyKTUCXZHQMVKRQU-UHFFFAOYSA-N
XLogP0.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-prop-2-enoxyformamide?
The IUPAC name of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-prop-2-enoxyformamide (CID 142314295) is N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-prop-2-enoxyformamide.
What is the SMILES notation for N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-prop-2-enoxyformamide?
The canonical SMILES for N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-prop-2-enoxyformamide is C=CCON(C=O)C1C=C(C)CN(C)C1.
What is the InChIKey of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-prop-2-enoxyformamide?
The InChIKey is KTUCXZHQMVKRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-5-15-13(9-14)11-6-10(2)7-12(3)8-11/h4,6,9,11H,1,5,7-8H2,2-3H3.
What are the key properties of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-prop-2-enoxyformamide?
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-prop-2-enoxyformamide has a molecular weight of 210.28 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-prop-2-enoxyformamide is sourced from PubChem (CID 142314295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).