1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one;hydrochloride

C8H16ClNO — CID 46242410

IUPAC1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one;hydrochloride
SMILESCC(=O)C[C@@H]1CCCN1C.Cl
InChIInChI=1S/C8H15NO.ClH/c1-7(10)6-8-4-3-5-9(8)2;/h8H,3-6H2,1-2H3;1H/t8-;/m0./s1
InChIKeyBZXVJNWDPQIOBA-QRPNPIFTSA-N
MW177.67 g/mol
LogP1.48
Rot. Bonds2

About 1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one;hydrochloride

1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one;hydrochloride (PubChem CID 46242410) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one;hydrochloride.

Molecular Properties

Compound Name1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one;hydrochloride
PubChem CID46242410
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one;hydrochloride
SMILESCC(=O)C[C@@H]1CCCN1C.Cl
InChIInChI=1S/C8H15NO.ClH/c1-7(10)6-8-4-3-5-9(8)2;/h8H,3-6H2,1-2H3;1H/t8-;/m0./s1
InChIKeyBZXVJNWDPQIOBA-QRPNPIFTSA-N
XLogP1.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(1-methylpyrrolidin-2-yl)propan-2-one
CID 91473977
1-[(5R)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-2-one
CID 91751199
2-(1-methylpyrrolidin-2-yl)acetamide;hydrochloride
CID 67492380
1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-one
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2,2-dideuterio-2-[(2R)-1-methylpyrrolidin-2-yl]acetic acid;hydrochloride
CID 87619351
1-(1-cyclohexylpyrrolidin-2-yl)propan-2-one
CID 79546496
1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-2-one
CID 82892304
1-methyl-2-(2-methylbut-2-enyl)piperidine
CID 91142338
1-(1-cyclopropylsulfonylpyrrolidin-2-yl)propan-2-one
CID 79546790
2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]propan-1-one
CID 79539984
1-[1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-2-yl]propan-2-one
CID 103179808
(1-methylpyrrolidin-2-yl)methanol;yttrium
CID 164903793

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one;hydrochloride?
The IUPAC name of 1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one;hydrochloride (CID 46242410) is 1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one;hydrochloride.
What is the SMILES notation for 1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one;hydrochloride?
The canonical SMILES for 1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one;hydrochloride is CC(=O)C[C@@H]1CCCN1C.Cl.
What is the InChIKey of 1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one;hydrochloride?
The InChIKey is BZXVJNWDPQIOBA-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c1-7(10)6-8-4-3-5-9(8)2;/h8H,3-6H2,1-2H3;1H/t8-;/m0./s1.
What are the key properties of 1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one;hydrochloride?
1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one;hydrochloride has a molecular weight of 177.67 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one;hydrochloride is sourced from PubChem (CID 46242410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).