1-[(1R,2Z)-3-methyl-2-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]cyclopent-3-en-1-yl]propan-2-one

C15H23NO — CID 134964200

IUPAC1-[(1R,2Z)-3-methyl-2-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]cyclopent-3-en-1-yl]propan-2-one
SMILESCC(=O)C[C@H]1CC=C(C)/C1=C\N1CCC[C@H]1C
InChIInChI=1S/C15H23NO/c1-11-6-7-14(9-13(3)17)15(11)10-16-8-4-5-12(16)2/h6,10,12,14H,4-5,7-9H2,1-3H3/b15-10+/t12-,14-/m1/s1
InChIKeyQKBOQWHRPHZTMS-LHVWTWQCSA-N
MW233.35 g/mol
LogP3.30
Rot. Bonds3

About 1-[(1R,2Z)-3-methyl-2-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]cyclopent-3-en-1-yl]propan-2-one

1-[(1R,2Z)-3-methyl-2-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]cyclopent-3-en-1-yl]propan-2-one (PubChem CID 134964200) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[(1R,2Z)-3-methyl-2-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]cyclopent-3-en-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[(1R,2Z)-3-methyl-2-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]cyclopent-3-en-1-yl]propan-2-one
PubChem CID134964200
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-[(1R,2Z)-3-methyl-2-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]cyclopent-3-en-1-yl]propan-2-one
SMILESCC(=O)C[C@H]1CC=C(C)/C1=C\N1CCC[C@H]1C
InChIInChI=1S/C15H23NO/c1-11-6-7-14(9-13(3)17)15(11)10-16-8-4-5-12(16)2/h6,10,12,14H,4-5,7-9H2,1-3H3/b15-10+/t12-,14-/m1/s1
InChIKeyQKBOQWHRPHZTMS-LHVWTWQCSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R,2E)-2-[[(2S)-1-methylpyrrolidin-2-yl]methylidene]cyclopentyl]ethanone
CID 134855694
(5r)5-Methyl-6-((z)-1,2,3,8a-tetrahydroindolizin-6(5h)ylidene)-2-hexanone
CID 156025313
(R,Z)-5-Methyl-6-((S)-1,2,3,8a-tetrahydroindolizin-6(5H)-ylidene)hexan-2-one
CID 91723874
1-(3-Cyclohepta-1,3,6-trien-1-yl-1-methylpyrrolidin-2-yl)ethanone
CID 143089476

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2Z)-3-methyl-2-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]cyclopent-3-en-1-yl]propan-2-one?
The IUPAC name of 1-[(1R,2Z)-3-methyl-2-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]cyclopent-3-en-1-yl]propan-2-one (CID 134964200) is 1-[(1R,2Z)-3-methyl-2-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]cyclopent-3-en-1-yl]propan-2-one.
What is the SMILES notation for 1-[(1R,2Z)-3-methyl-2-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]cyclopent-3-en-1-yl]propan-2-one?
The canonical SMILES for 1-[(1R,2Z)-3-methyl-2-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]cyclopent-3-en-1-yl]propan-2-one is CC(=O)C[C@H]1CC=C(C)/C1=C\N1CCC[C@H]1C.
What is the InChIKey of 1-[(1R,2Z)-3-methyl-2-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]cyclopent-3-en-1-yl]propan-2-one?
The InChIKey is QKBOQWHRPHZTMS-LHVWTWQCSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-6-7-14(9-13(3)17)15(11)10-16-8-4-5-12(16)2/h6,10,12,14H,4-5,7-9H2,1-3H3/b15-10+/t12-,14-/m1/s1.
What are the key properties of 1-[(1R,2Z)-3-methyl-2-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]cyclopent-3-en-1-yl]propan-2-one?
1-[(1R,2Z)-3-methyl-2-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]cyclopent-3-en-1-yl]propan-2-one has a molecular weight of 233.35 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2Z)-3-methyl-2-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]cyclopent-3-en-1-yl]propan-2-one is sourced from PubChem (CID 134964200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).