(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydro-1H-pyrrole

C9H15NO2 — CID 102471705

IUPAC(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydro-1H-pyrrole
SMILESCC1(C)OC[C@@H]([C@H]2C=CCN2)O1
InChIInChI=1S/C9H15NO2/c1-9(2)11-6-8(12-9)7-4-3-5-10-7/h3-4,7-8,10H,5-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyMDEVNXFCVFWFNH-SFYZADRCSA-N
MW169.22 g/mol
LogP0.67
Rot. Bonds1

About (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydro-1H-pyrrole

(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydro-1H-pyrrole (PubChem CID 102471705) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydro-1H-pyrrole
PubChem CID102471705
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydro-1H-pyrrole
SMILESCC1(C)OC[C@@H]([C@H]2C=CCN2)O1
InChIInChI=1S/C9H15NO2/c1-9(2)11-6-8(12-9)7-4-3-5-10-7/h3-4,7-8,10H,5-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyMDEVNXFCVFWFNH-SFYZADRCSA-N
XLogP0.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydro-1H-pyrrole with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine
CID 55303426
4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-dimethylcyclopentyl]-2,2-dimethyl-1,3-dioxolane
CID 70943603
(3aS,4S,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole
CID 14101280
(2S,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-ol
CID 11030522
(2R)-2-cyclopropyl-2,5-dihydro-1H-pyrrole
CID 175939768
(3aR,4R,7aR)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 101395895
(4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-[(2R)-3-methyloxiran-2-yl]-1,3-dioxolane
CID 102250343
(4aR,7S,7aS)-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol
CID 102332171
2,2-dimethyl-4-[(2S)-oxolan-2-yl]-1,3-dioxolane
CID 121404200
(1S,7R)-4,4-dimethyl-3,5,8-trioxabicyclo[5.1.0]octane
CID 11029957
[(2R,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyloxiran-2-yl]methanol
CID 131201511
2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 14332317

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydro-1H-pyrrole?
The IUPAC name of (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydro-1H-pyrrole (CID 102471705) is (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydro-1H-pyrrole?
The canonical SMILES for (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydro-1H-pyrrole is CC1(C)OC[C@@H]([C@H]2C=CCN2)O1.
What is the InChIKey of (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydro-1H-pyrrole?
The InChIKey is MDEVNXFCVFWFNH-SFYZADRCSA-N. The full InChI is InChI=1S/C9H15NO2/c1-9(2)11-6-8(12-9)7-4-3-5-10-7/h3-4,7-8,10H,5-6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydro-1H-pyrrole?
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydro-1H-pyrrole has a molecular weight of 169.22 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 102471705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).