(2S)-1-(dipropylamino)pyrrolidine-2-carbaldehyde

C11H22N2O — CID 58767747

IUPAC(2S)-1-(dipropylamino)pyrrolidine-2-carbaldehyde
SMILESCCCN(CCC)N1CCC[C@H]1C=O
InChIInChI=1S/C11H22N2O/c1-3-7-12(8-4-2)13-9-5-6-11(13)10-14/h10-11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyWPYNAPHTFHBLOZ-NSHDSACASA-N
MW198.31 g/mol
LogP1.69
Rot. Bonds6

About (2S)-1-(dipropylamino)pyrrolidine-2-carbaldehyde

(2S)-1-(dipropylamino)pyrrolidine-2-carbaldehyde (PubChem CID 58767747) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S)-1-(dipropylamino)pyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-1-(dipropylamino)pyrrolidine-2-carbaldehyde
PubChem CID58767747
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(2S)-1-(dipropylamino)pyrrolidine-2-carbaldehyde
SMILESCCCN(CCC)N1CCC[C@H]1C=O
InChIInChI=1S/C11H22N2O/c1-3-7-12(8-4-2)13-9-5-6-11(13)10-14/h10-11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyWPYNAPHTFHBLOZ-NSHDSACASA-N
XLogP1.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(dipropylamino)pyrrolidine-2-carbaldehyde?
The IUPAC name of (2S)-1-(dipropylamino)pyrrolidine-2-carbaldehyde (CID 58767747) is (2S)-1-(dipropylamino)pyrrolidine-2-carbaldehyde.
What is the SMILES notation for (2S)-1-(dipropylamino)pyrrolidine-2-carbaldehyde?
The canonical SMILES for (2S)-1-(dipropylamino)pyrrolidine-2-carbaldehyde is CCCN(CCC)N1CCC[C@H]1C=O.
What is the InChIKey of (2S)-1-(dipropylamino)pyrrolidine-2-carbaldehyde?
The InChIKey is WPYNAPHTFHBLOZ-NSHDSACASA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-7-12(8-4-2)13-9-5-6-11(13)10-14/h10-11H,3-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-1-(dipropylamino)pyrrolidine-2-carbaldehyde?
(2S)-1-(dipropylamino)pyrrolidine-2-carbaldehyde has a molecular weight of 198.31 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(dipropylamino)pyrrolidine-2-carbaldehyde is sourced from PubChem (CID 58767747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).