2-methylpyrrolidine-2-carbaldehyde;hydrochloride

C6H12ClNO — CID 175842534

IUPAC2-methylpyrrolidine-2-carbaldehyde;hydrochloride
SMILESCC1(C=O)CCCN1.Cl
InChIInChI=1S/C6H11NO.ClH/c1-6(5-8)3-2-4-7-6;/h5,7H,2-4H2,1H3;1H
InChIKeyFIHBHPWQRMFXFL-UHFFFAOYSA-N
MW149.62 g/mol
LogP0.75
Rot. Bonds1

About 2-methylpyrrolidine-2-carbaldehyde;hydrochloride

2-methylpyrrolidine-2-carbaldehyde;hydrochloride (PubChem CID 175842534) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 2-methylpyrrolidine-2-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name2-methylpyrrolidine-2-carbaldehyde;hydrochloride
PubChem CID175842534
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name2-methylpyrrolidine-2-carbaldehyde;hydrochloride
SMILESCC1(C=O)CCCN1.Cl
InChIInChI=1S/C6H11NO.ClH/c1-6(5-8)3-2-4-7-6;/h5,7H,2-4H2,1H3;1H
InChIKeyFIHBHPWQRMFXFL-UHFFFAOYSA-N
XLogP0.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.75
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

methanol;2-methylpyrrolidine-2-carbaldehyde
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(2S)-2-formylpyrrolidine-2-carboxylic acid
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2-formylpyrrolidine-2-carboxylic acid
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3,3-difluoro-2,2-dimethylpiperidine;hydrochloride
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2-tert-butyl-2-methylpyrrolidine;hydrochloride
CID 115015040
(2R)-2-methylpyrrolidin-2-ol
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2-methylpyrrolidin-2-amine
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1-methyl-2,5-diazaspiro[3.4]octan-3-one
CID 90330182
2,2,3,3-tetramethyl-1,4,8,11-tetrazacyclotetradecane;tetrahydrobromide
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Frequently Asked Questions

What is the IUPAC name of 2-methylpyrrolidine-2-carbaldehyde;hydrochloride?
The IUPAC name of 2-methylpyrrolidine-2-carbaldehyde;hydrochloride (CID 175842534) is 2-methylpyrrolidine-2-carbaldehyde;hydrochloride.
What is the SMILES notation for 2-methylpyrrolidine-2-carbaldehyde;hydrochloride?
The canonical SMILES for 2-methylpyrrolidine-2-carbaldehyde;hydrochloride is CC1(C=O)CCCN1.Cl.
What is the InChIKey of 2-methylpyrrolidine-2-carbaldehyde;hydrochloride?
The InChIKey is FIHBHPWQRMFXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.ClH/c1-6(5-8)3-2-4-7-6;/h5,7H,2-4H2,1H3;1H.
What are the key properties of 2-methylpyrrolidine-2-carbaldehyde;hydrochloride?
2-methylpyrrolidine-2-carbaldehyde;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrrolidine-2-carbaldehyde;hydrochloride is sourced from PubChem (CID 175842534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).