ethane;(2R)-pyrrolidine-2-carbaldehyde

C9H21NO — CID 177324827

IUPACethane;(2R)-pyrrolidine-2-carbaldehyde
SMILESCC.CC.O=C[C@H]1CCCN1
InChIInChI=1S/C5H9NO.2C2H6/c7-4-5-2-1-3-6-5;2*1-2/h4-6H,1-3H2;2*1-2H3/t5-;;/m1../s1
InChIKeySNJDRKKEJBVJLN-ZJIMSODOSA-N
MW159.27 g/mol
LogP1.99
Rot. Bonds1

About ethane;(2R)-pyrrolidine-2-carbaldehyde

ethane;(2R)-pyrrolidine-2-carbaldehyde (PubChem CID 177324827) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is ethane;(2R)-pyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Nameethane;(2R)-pyrrolidine-2-carbaldehyde
PubChem CID177324827
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Nameethane;(2R)-pyrrolidine-2-carbaldehyde
SMILESCC.CC.O=C[C@H]1CCCN1
InChIInChI=1S/C5H9NO.2C2H6/c7-4-5-2-1-3-6-5;2*1-2/h4-6H,1-3H2;2*1-2H3/t5-;;/m1../s1
InChIKeySNJDRKKEJBVJLN-ZJIMSODOSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-piperidine-2-carbaldehyde;hydrochloride
CID 131884313
tert-butyl formate;piperidine-2-carbaldehyde
CID 161184138
tert-butyl carbamate;methanol;pyrrolidine-2-carbaldehyde
CID 171093384
oxadiazole;(2S)-pyrrolidine-2-carbaldehyde
CID 126698192
4-cyclopropyl-2-hydroxy-3-(methylamino)butanal;ethane;methanamine;propane;pyrrolidine-2-carbaldehyde
CID 165393789
formic acid;(2R)-2-methylpyrrolidine
CID 143602308
(E)-3-[(2R)-pyrrolidin-2-yl]prop-2-enoic acid
CID 155072463
(2R)-2-(2,2-dibromoethenyl)pyrrolidine
CID 14730329
[2-(methylamino)phenyl]-phenylmethanone;pyrrolidine-2-carbaldehyde;toluene
CID 155690779
(2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine
CID 129418670
2-[(Z)-pent-1-enyl]pyrrolidine
CID 55300671
ethane;methyl formate;2-methylpyrrolidine;propane
CID 143024977

Frequently Asked Questions

What is the IUPAC name of ethane;(2R)-pyrrolidine-2-carbaldehyde?
The IUPAC name of ethane;(2R)-pyrrolidine-2-carbaldehyde (CID 177324827) is ethane;(2R)-pyrrolidine-2-carbaldehyde.
What is the SMILES notation for ethane;(2R)-pyrrolidine-2-carbaldehyde?
The canonical SMILES for ethane;(2R)-pyrrolidine-2-carbaldehyde is CC.CC.O=C[C@H]1CCCN1.
What is the InChIKey of ethane;(2R)-pyrrolidine-2-carbaldehyde?
The InChIKey is SNJDRKKEJBVJLN-ZJIMSODOSA-N. The full InChI is InChI=1S/C5H9NO.2C2H6/c7-4-5-2-1-3-6-5;2*1-2/h4-6H,1-3H2;2*1-2H3/t5-;;/m1../s1.
What are the key properties of ethane;(2R)-pyrrolidine-2-carbaldehyde?
ethane;(2R)-pyrrolidine-2-carbaldehyde has a molecular weight of 159.27 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2R)-pyrrolidine-2-carbaldehyde is sourced from PubChem (CID 177324827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).