methyl 5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate

C10H17NO2 — CID 155792382

IUPACmethyl 5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1CCC=C(C(C)C)C1
InChIInChI=1S/C10H17NO2/c1-8(2)9-5-4-6-11(7-9)10(12)13-3/h5,8H,4,6-7H2,1-3H3
InChIKeyWGGSVDUGMMZMGR-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.04
Rot. Bonds1

About methyl 5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate

methyl 5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 155792382) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID155792382
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1CCC=C(C(C)C)C1
InChIInChI=1S/C10H17NO2/c1-8(2)9-5-4-6-11(7-9)10(12)13-3/h5,8H,4,6-7H2,1-3H3
InChIKeyWGGSVDUGMMZMGR-UHFFFAOYSA-N
XLogP2.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 155792382) is methyl 5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate is COC(=O)N1CCC=C(C(C)C)C1.
What is the InChIKey of methyl 5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is WGGSVDUGMMZMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(2)9-5-4-6-11(7-9)10(12)13-3/h5,8H,4,6-7H2,1-3H3.
What are the key properties of methyl 5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
methyl 5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 155792382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).