(3S)-5,5-dimethylpyrrolidine-3-carbaldehyde

C7H13NO — CID 141296159

IUPAC(3S)-5,5-dimethylpyrrolidine-3-carbaldehyde
SMILESCC1(C)C[C@H](C=O)CN1
InChIInChI=1S/C7H13NO/c1-7(2)3-6(5-9)4-8-7/h5-6,8H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyFZFMZKUCYXCFHP-LURJTMIESA-N
MW127.19 g/mol
LogP0.57
Rot. Bonds1

About (3S)-5,5-dimethylpyrrolidine-3-carbaldehyde

(3S)-5,5-dimethylpyrrolidine-3-carbaldehyde (PubChem CID 141296159) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3S)-5,5-dimethylpyrrolidine-3-carbaldehyde.

Molecular Properties

Compound Name(3S)-5,5-dimethylpyrrolidine-3-carbaldehyde
PubChem CID141296159
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3S)-5,5-dimethylpyrrolidine-3-carbaldehyde
SMILESCC1(C)C[C@H](C=O)CN1
InChIInChI=1S/C7H13NO/c1-7(2)3-6(5-9)4-8-7/h5-6,8H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyFZFMZKUCYXCFHP-LURJTMIESA-N
XLogP0.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.57
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

4-ethenyl-2,2-dimethylpyrrolidine
CID 145126401
(3S)-5,5-dimethylpyrrolidine-3-carboxamide
CID 129142107
(2S,7R,9R,14R)-2,5,5,7,9,12,12,14-octamethyl-1,4,8,11-tetrazacyclotetradecane
CID 139079648
2,2-dimethyl-4-propan-2-ylpyrrolidine
CID 117269783
5,5-dimethylpyrrolidine-3-sulfonamide;hydrochloride
CID 146150570
methyl 2-(5,5-dimethylpyrrolidin-3-yl)acetate
CID 131560848
1-azaspiro[5.5]undecane-3-carbaldehyde
CID 123930535
5,5-dimethyl-1-(trifluoromethyl)piperazine-2-carbaldehyde
CID 174576382
(2,2,6,6-tetramethylpiperidin-4-yl)methanimine
CID 91198947
2,4-dimethylpyrrolidine-2-carbaldehyde
CID 174809665
6,6-dimethylpiperazine-2-carbaldehyde
CID 174601617
1,3-diazinane-5-carbaldehyde
CID 151779115

Frequently Asked Questions

What is the IUPAC name of (3S)-5,5-dimethylpyrrolidine-3-carbaldehyde?
The IUPAC name of (3S)-5,5-dimethylpyrrolidine-3-carbaldehyde (CID 141296159) is (3S)-5,5-dimethylpyrrolidine-3-carbaldehyde.
What is the SMILES notation for (3S)-5,5-dimethylpyrrolidine-3-carbaldehyde?
The canonical SMILES for (3S)-5,5-dimethylpyrrolidine-3-carbaldehyde is CC1(C)C[C@H](C=O)CN1.
What is the InChIKey of (3S)-5,5-dimethylpyrrolidine-3-carbaldehyde?
The InChIKey is FZFMZKUCYXCFHP-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO/c1-7(2)3-6(5-9)4-8-7/h5-6,8H,3-4H2,1-2H3/t6-/m0/s1.
What are the key properties of (3S)-5,5-dimethylpyrrolidine-3-carbaldehyde?
(3S)-5,5-dimethylpyrrolidine-3-carbaldehyde has a molecular weight of 127.19 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5,5-dimethylpyrrolidine-3-carbaldehyde is sourced from PubChem (CID 141296159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).