methyl 6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate

C10H15NO2 — CID 101266480

IUPACmethyl 6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESC/C=C/C1=CCCCN1C(=O)OC
InChIInChI=1S/C10H15NO2/c1-3-6-9-7-4-5-8-11(9)10(12)13-2/h3,6-7H,4-5,8H2,1-2H3/b6-3+
InChIKeyNEROSFGZRABWCD-ZZXKWVIFSA-N
MW181.24 g/mol
LogP2.31
Rot. Bonds1

About methyl 6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate

methyl 6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 101266480) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is methyl 6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID101266480
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Namemethyl 6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESC/C=C/C1=CCCCN1C(=O)OC
InChIInChI=1S/C10H15NO2/c1-3-6-9-7-4-5-8-11(9)10(12)13-2/h3,6-7H,4-5,8H2,1-2H3/b6-3+
InChIKeyNEROSFGZRABWCD-ZZXKWVIFSA-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 ≤ 500181.24
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate with MolForge

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Related Compounds

1(2h)-Pyridinecarboxylic acid,2-(2-propenyl)-,methyl ester
CID 13382552
methyl 3-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate
CID 13382558
1(2h)-Pyridinecarboxylic acid,5,6-dihydro-2-(2-propenyl)-,methyl ester
CID 11229141
methyl 2-butyl-2H-pyridine-1-carboxylate
CID 12416609
methyl 2-methyl-2H-pyridine-1-carboxylate
CID 12853358
methyl 2-ethylpyridine-1(2H)-carboxylate
CID 12853359
(r,s)-2-Vinyl-2h-pyridine-1-carboxylic acid methyl ester
CID 12853365
methyl 5-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate
CID 13382559
ethyl 6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 101149477
Ethyl-1-methoxycarbonyl-4-pyridinium iodide
CID 129655271
Methyl 7-methyl-2,3,4,5-tetrahydroazepine-1-carboxylate
CID 134830688
ethyl 6-tert-butyl-2-ethyl-2H-pyridine-1-carboxylate
CID 135075389

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate (CID 101266480) is methyl 6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate is C/C=C/C1=CCCCN1C(=O)OC.
What is the InChIKey of methyl 6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is NEROSFGZRABWCD-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-6-9-7-4-5-8-11(9)10(12)13-2/h3,6-7H,4-5,8H2,1-2H3/b6-3+.
What are the key properties of methyl 6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate?
methyl 6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 181.24 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 6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 101266480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).