N-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;methanol

C14H28N2O3 — CID 145162116

IUPACN-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;methanol
SMILESC=CCON(C=O)[C@H]1CN(C)CC=C1C.CC.CO
InChIInChI=1S/C11H18N2O2.C2H6.CH4O/c1-4-7-15-13(9-14)11-8-12(3)6-5-10(11)2;2*1-2/h4-5,9,11H,1,6-8H2,2-3H3;1-2H3;2H,1H3/t11-;;/m0../s1
InChIKeyWQEAFTVERBOMFD-IDMXKUIJSA-N
MW272.39 g/mol
LogP1.46
Rot. Bonds5

About N-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;methanol

N-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;methanol (PubChem CID 145162116) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;methanol.

Molecular Properties

Compound NameN-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;methanol
PubChem CID145162116
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC NameN-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;methanol
SMILESC=CCON(C=O)[C@H]1CN(C)CC=C1C.CC.CO
InChIInChI=1S/C11H18N2O2.C2H6.CH4O/c1-4-7-15-13(9-14)11-8-12(3)6-5-10(11)2;2*1-2/h4-5,9,11H,1,6-8H2,2-3H3;1-2H3;2H,1H3/t11-;;/m0../s1
InChIKeyWQEAFTVERBOMFD-IDMXKUIJSA-N
XLogP1.46
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;methanol?
The IUPAC name of N-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;methanol (CID 145162116) is N-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;methanol.
What is the SMILES notation for N-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;methanol?
The canonical SMILES for N-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;methanol is C=CCON(C=O)[C@H]1CN(C)CC=C1C.CC.CO.
What is the InChIKey of N-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;methanol?
The InChIKey is WQEAFTVERBOMFD-IDMXKUIJSA-N. The full InChI is InChI=1S/C11H18N2O2.C2H6.CH4O/c1-4-7-15-13(9-14)11-8-12(3)6-5-10(11)2;2*1-2/h4-5,9,11H,1,6-8H2,2-3H3;1-2H3;2H,1H3/t11-;;/m0../s1.
What are the key properties of N-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;methanol?
N-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;methanol has a molecular weight of 272.39 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;methanol is sourced from PubChem (CID 145162116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).