[(3S)-oxolan-3-yl]-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone

C13H21NO2 — CID 176865071

IUPAC[(3S)-oxolan-3-yl]-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC(C)C1=CCN(C(=O)[C@H]2CCOC2)CC1
InChIInChI=1S/C13H21NO2/c1-10(2)11-3-6-14(7-4-11)13(15)12-5-8-16-9-12/h3,10,12H,4-9H2,1-2H3/t12-/m0/s1
InChIKeyRCDYHIWEZWDPCA-LBPRGKRZSA-N
MW223.32 g/mol
LogP1.84
Rot. Bonds2

About [(3S)-oxolan-3-yl]-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone

[(3S)-oxolan-3-yl]-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 176865071) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is [(3S)-oxolan-3-yl]-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name[(3S)-oxolan-3-yl]-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID176865071
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name[(3S)-oxolan-3-yl]-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC(C)C1=CCN(C(=O)[C@H]2CCOC2)CC1
InChIInChI=1S/C13H21NO2/c1-10(2)11-3-6-14(7-4-11)13(15)12-5-8-16-9-12/h3,10,12H,4-9H2,1-2H3/t12-/m0/s1
InChIKeyRCDYHIWEZWDPCA-LBPRGKRZSA-N
XLogP1.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3S)-oxolan-3-yl]-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of [(3S)-oxolan-3-yl]-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 176865071) is [(3S)-oxolan-3-yl]-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for [(3S)-oxolan-3-yl]-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for [(3S)-oxolan-3-yl]-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone is CC(C)C1=CCN(C(=O)[C@H]2CCOC2)CC1.
What is the InChIKey of [(3S)-oxolan-3-yl]-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is RCDYHIWEZWDPCA-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(2)11-3-6-14(7-4-11)13(15)12-5-8-16-9-12/h3,10,12H,4-9H2,1-2H3/t12-/m0/s1.
What are the key properties of [(3S)-oxolan-3-yl]-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
[(3S)-oxolan-3-yl]-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 223.32 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-oxolan-3-yl]-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 176865071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).