1-[(1R,2E)-2-[[(2S)-1-methylpyrrolidin-2-yl]methylidene]cyclopentyl]ethanone

C13H21NO — CID 134855694

IUPAC1-[(1R,2E)-2-[[(2S)-1-methylpyrrolidin-2-yl]methylidene]cyclopentyl]ethanone
SMILESCC(=O)[C@@H]1CCC/C1=C\[C@@H]1CCCN1C
InChIInChI=1S/C13H21NO/c1-10(15)13-7-3-5-11(13)9-12-6-4-8-14(12)2/h9,12-13H,3-8H2,1-2H3/b11-9+/t12-,13-/m0/s1
InChIKeyMYYFOGZVBPBVEV-WPPSVTIISA-N
MW207.32 g/mol
LogP2.40
Rot. Bonds2

About 1-[(1R,2E)-2-[[(2S)-1-methylpyrrolidin-2-yl]methylidene]cyclopentyl]ethanone

1-[(1R,2E)-2-[[(2S)-1-methylpyrrolidin-2-yl]methylidene]cyclopentyl]ethanone (PubChem CID 134855694) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[(1R,2E)-2-[[(2S)-1-methylpyrrolidin-2-yl]methylidene]cyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2E)-2-[[(2S)-1-methylpyrrolidin-2-yl]methylidene]cyclopentyl]ethanone
PubChem CID134855694
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-[(1R,2E)-2-[[(2S)-1-methylpyrrolidin-2-yl]methylidene]cyclopentyl]ethanone
SMILESCC(=O)[C@@H]1CCC/C1=C\[C@@H]1CCCN1C
InChIInChI=1S/C13H21NO/c1-10(15)13-7-3-5-11(13)9-12-6-4-8-14(12)2/h9,12-13H,3-8H2,1-2H3/b11-9+/t12-,13-/m0/s1
InChIKeyMYYFOGZVBPBVEV-WPPSVTIISA-N
XLogP2.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6E)-2-methyl-6-[[(2S)-1-methylpyrrolidin-2-yl]methylidene]cyclohexan-1-one
CID 10465625
(2E)-2-[[(2S)-1,1-dimethylpyrrolidin-1-ium-2-yl]methylidene]-6-methylcyclohexan-1-one
CID 11775744
(2Z)-2-[[(2S)-1,1-dimethylpyrrolidin-1-ium-2-yl]methylidene]-6-methylcyclohexan-1-one
CID 44350318
Cyclopentanone, 2-heptylidene-5-(1-pyrrolidinylmethyl)-, (E)-, hydrochloride
CID 368778
(6Z)-2-methyl-6-[[(2S)-1-methylpyrrolidin-2-yl]methylidene]cyclohexan-1-one
CID 44350168
(2E)-2-pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride
CID 5467293
Cyclopentanone, (E)-, hydrochloride
CID 54608101
(2E)-2-(2-methylpropylidene)-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride
CID 54598738
1-[(1R,2Z)-3-methyl-2-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]cyclopent-3-en-1-yl]propan-2-one
CID 134964200
1-(2-Pyrrolidin-1-ylcyclohex-3-en-1-yl)ethanone
CID 134980510
1-[(1R,6S)-6-methyl-2-pyrrolidin-1-ylcyclohex-3-en-1-yl]ethanone
CID 134991537
(5r)5-Methyl-6-((z)-1,2,3,8a-tetrahydroindolizin-6(5h)ylidene)-2-hexanone
CID 156025313

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2E)-2-[[(2S)-1-methylpyrrolidin-2-yl]methylidene]cyclopentyl]ethanone?
The IUPAC name of 1-[(1R,2E)-2-[[(2S)-1-methylpyrrolidin-2-yl]methylidene]cyclopentyl]ethanone (CID 134855694) is 1-[(1R,2E)-2-[[(2S)-1-methylpyrrolidin-2-yl]methylidene]cyclopentyl]ethanone.
What is the SMILES notation for 1-[(1R,2E)-2-[[(2S)-1-methylpyrrolidin-2-yl]methylidene]cyclopentyl]ethanone?
The canonical SMILES for 1-[(1R,2E)-2-[[(2S)-1-methylpyrrolidin-2-yl]methylidene]cyclopentyl]ethanone is CC(=O)[C@@H]1CCC/C1=C\[C@@H]1CCCN1C.
What is the InChIKey of 1-[(1R,2E)-2-[[(2S)-1-methylpyrrolidin-2-yl]methylidene]cyclopentyl]ethanone?
The InChIKey is MYYFOGZVBPBVEV-WPPSVTIISA-N. The full InChI is InChI=1S/C13H21NO/c1-10(15)13-7-3-5-11(13)9-12-6-4-8-14(12)2/h9,12-13H,3-8H2,1-2H3/b11-9+/t12-,13-/m0/s1.
What are the key properties of 1-[(1R,2E)-2-[[(2S)-1-methylpyrrolidin-2-yl]methylidene]cyclopentyl]ethanone?
1-[(1R,2E)-2-[[(2S)-1-methylpyrrolidin-2-yl]methylidene]cyclopentyl]ethanone has a molecular weight of 207.32 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2E)-2-[[(2S)-1-methylpyrrolidin-2-yl]methylidene]cyclopentyl]ethanone is sourced from PubChem (CID 134855694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).