2-cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetaldehyde;2-methoxy-2-methylpropane

C20H37NO3 — CID 178087243

IUPAC2-cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetaldehyde;2-methoxy-2-methylpropane
SMILESCOC(C)(C)C.O=CC(C1CCCC1)N1CCCC1C1CCCO1
InChIInChI=1S/C15H25NO2.C5H12O/c17-11-14(12-5-1-2-6-12)16-9-3-7-13(16)15-8-4-10-18-15;1-5(2,3)6-4/h11-15H,1-10H2;1-4H3
InChIKeyFIRXMJNSCSSTDN-UHFFFAOYSA-N
MW339.52 g/mol
LogP3.82
Rot. Bonds4

About 2-cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetaldehyde;2-methoxy-2-methylpropane

2-cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetaldehyde;2-methoxy-2-methylpropane (PubChem CID 178087243) has the molecular formula C20H37NO3 and a molecular weight of 339.52 g/mol. Its IUPAC name is 2-cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetaldehyde;2-methoxy-2-methylpropane.

Molecular Properties

Compound Name2-cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetaldehyde;2-methoxy-2-methylpropane
PubChem CID178087243
Molecular FormulaC20H37NO3
Molecular Weight339.52 g/mol
Exact Mass339.28
IUPAC Name2-cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetaldehyde;2-methoxy-2-methylpropane
SMILESCOC(C)(C)C.O=CC(C1CCCC1)N1CCCC1C1CCCO1
InChIInChI=1S/C15H25NO2.C5H12O/c17-11-14(12-5-1-2-6-12)16-9-3-7-13(16)15-8-4-10-18-15;1-5(2,3)6-4/h11-15H,1-10H2;1-4H3
InChIKeyFIRXMJNSCSSTDN-UHFFFAOYSA-N
XLogP3.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetic acid
CID 178086649
tert-butyl (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetate
CID 178086712
2-Cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetic acid
CID 178086894
2-[1-(1-Oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 102898105
1-[1-(1-Oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one
CID 102898106
Ethyl 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carboxylate
CID 102899992
2-[1-[(5,5-Dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 116521879
2-Cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetaldehyde
CID 178087244

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetaldehyde;2-methoxy-2-methylpropane?
The IUPAC name of 2-cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetaldehyde;2-methoxy-2-methylpropane (CID 178087243) is 2-cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetaldehyde;2-methoxy-2-methylpropane.
What is the SMILES notation for 2-cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetaldehyde;2-methoxy-2-methylpropane?
The canonical SMILES for 2-cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetaldehyde;2-methoxy-2-methylpropane is COC(C)(C)C.O=CC(C1CCCC1)N1CCCC1C1CCCO1.
What is the InChIKey of 2-cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetaldehyde;2-methoxy-2-methylpropane?
The InChIKey is FIRXMJNSCSSTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2.C5H12O/c17-11-14(12-5-1-2-6-12)16-9-3-7-13(16)15-8-4-10-18-15;1-5(2,3)6-4/h11-15H,1-10H2;1-4H3.
What are the key properties of 2-cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetaldehyde;2-methoxy-2-methylpropane?
2-cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetaldehyde;2-methoxy-2-methylpropane has a molecular weight of 339.52 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetaldehyde;2-methoxy-2-methylpropane is sourced from PubChem (CID 178087243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).