(2R)-1-propan-2-ylpyrrolidine-2-carbaldehyde

C8H15NO — CID 130787458

IUPAC(2R)-1-propan-2-ylpyrrolidine-2-carbaldehyde
SMILESCC(C)N1CCC[C@@H]1C=O
InChIInChI=1S/C8H15NO/c1-7(2)9-5-3-4-8(9)6-10/h6-8H,3-5H2,1-2H3/t8-/m1/s1
InChIKeyXUJWFGWQUZWCBM-MRVPVSSYSA-N
MW141.21 g/mol
LogP1.06
Rot. Bonds2

About (2R)-1-propan-2-ylpyrrolidine-2-carbaldehyde

(2R)-1-propan-2-ylpyrrolidine-2-carbaldehyde (PubChem CID 130787458) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2R)-1-propan-2-ylpyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(2R)-1-propan-2-ylpyrrolidine-2-carbaldehyde
PubChem CID130787458
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2R)-1-propan-2-ylpyrrolidine-2-carbaldehyde
SMILESCC(C)N1CCC[C@@H]1C=O
InChIInChI=1S/C8H15NO/c1-7(2)9-5-3-4-8(9)6-10/h6-8H,3-5H2,1-2H3/t8-/m1/s1
InChIKeyXUJWFGWQUZWCBM-MRVPVSSYSA-N
XLogP1.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[(2R)-butan-2-yl]pyrrolidine-2-carbaldehyde
CID 89079851
(Z)-4-(1-propan-2-ylpiperidin-2-yl)but-3-enal
CID 117267636
1-but-3-en-2-ylpiperidine-2-carbaldehyde
CID 62654784
methyl (E)-3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]prop-2-enoate
CID 169177443
N-cyclopentyl-2-(2-formylpiperidin-1-yl)propanamide
CID 62655889
1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-one
CID 164547301
(Z)-4-(1-propan-2-ylpiperidin-2-yl)but-3-en-1-ol
CID 117267630
2-[(Z)-3-isocyanatoprop-1-enyl]-1-propan-2-ylpiperidine
CID 117267603
(1-propan-2-ylpyrrolidin-2-yl)methanamine
CID 2762717
(2R)-1,2-di(propan-2-yl)pyrrolidine
CID 59965991
(2S)-1,2-di(propan-2-yl)pyrrolidine
CID 59966007
(2S)-1-ethylpyrrolidine-2-carbaldehyde;hydrochloride
CID 142656328

Frequently Asked Questions

What is the IUPAC name of (2R)-1-propan-2-ylpyrrolidine-2-carbaldehyde?
The IUPAC name of (2R)-1-propan-2-ylpyrrolidine-2-carbaldehyde (CID 130787458) is (2R)-1-propan-2-ylpyrrolidine-2-carbaldehyde.
What is the SMILES notation for (2R)-1-propan-2-ylpyrrolidine-2-carbaldehyde?
The canonical SMILES for (2R)-1-propan-2-ylpyrrolidine-2-carbaldehyde is CC(C)N1CCC[C@@H]1C=O.
What is the InChIKey of (2R)-1-propan-2-ylpyrrolidine-2-carbaldehyde?
The InChIKey is XUJWFGWQUZWCBM-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(2)9-5-3-4-8(9)6-10/h6-8H,3-5H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-1-propan-2-ylpyrrolidine-2-carbaldehyde?
(2R)-1-propan-2-ylpyrrolidine-2-carbaldehyde has a molecular weight of 141.21 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-propan-2-ylpyrrolidine-2-carbaldehyde is sourced from PubChem (CID 130787458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).