methyl 5-prop-1-en-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate

C10H15NO2 — CID 14495058

IUPACmethyl 5-prop-1-en-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESC=C(C)C1=CN(C(=O)OC)CCC1
InChIInChI=1S/C10H15NO2/c1-8(2)9-5-4-6-11(7-9)10(12)13-3/h7H,1,4-6H2,2-3H3
InChIKeyRUSWASPUBXBVHO-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.31
Rot. Bonds1

About methyl 5-prop-1-en-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate

methyl 5-prop-1-en-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 14495058) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is methyl 5-prop-1-en-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-prop-1-en-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID14495058
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Namemethyl 5-prop-1-en-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESC=C(C)C1=CN(C(=O)OC)CCC1
InChIInChI=1S/C10H15NO2/c1-8(2)9-5-4-6-11(7-9)10(12)13-3/h7H,1,4-6H2,2-3H3
InChIKeyRUSWASPUBXBVHO-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 5-prop-1-en-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 5-prop-1-en-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate (CID 14495058) is methyl 5-prop-1-en-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 5-prop-1-en-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 5-prop-1-en-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate is C=C(C)C1=CN(C(=O)OC)CCC1.
What is the InChIKey of methyl 5-prop-1-en-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is RUSWASPUBXBVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8(2)9-5-4-6-11(7-9)10(12)13-3/h7H,1,4-6H2,2-3H3.
What are the key properties of methyl 5-prop-1-en-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate?
methyl 5-prop-1-en-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 181.23 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-prop-1-en-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 14495058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).