(2E)-2-[(1-methylpyrrolidin-2-yl)methylidene]cyclopentan-1-one

C11H17NO — CID 56674554

IUPAC(2E)-2-[(1-methylpyrrolidin-2-yl)methylidene]cyclopentan-1-one
SMILESCN1CCCC1/C=C1\CCCC1=O
InChIInChI=1S/C11H17NO/c1-12-7-3-5-10(12)8-9-4-2-6-11(9)13/h8,10H,2-7H2,1H3/b9-8+
InChIKeyKFUDZZZSOUAONO-CMDGGOBGSA-N
MW179.26 g/mol
LogP1.76
Rot. Bonds1

About (2E)-2-[(1-methylpyrrolidin-2-yl)methylidene]cyclopentan-1-one

(2E)-2-[(1-methylpyrrolidin-2-yl)methylidene]cyclopentan-1-one (PubChem CID 56674554) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (2E)-2-[(1-methylpyrrolidin-2-yl)methylidene]cyclopentan-1-one.

Molecular Properties

Compound Name(2E)-2-[(1-methylpyrrolidin-2-yl)methylidene]cyclopentan-1-one
PubChem CID56674554
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(2E)-2-[(1-methylpyrrolidin-2-yl)methylidene]cyclopentan-1-one
SMILESCN1CCCC1/C=C1\CCCC1=O
InChIInChI=1S/C11H17NO/c1-12-7-3-5-10(12)8-9-4-2-6-11(9)13/h8,10H,2-7H2,1H3/b9-8+
InChIKeyKFUDZZZSOUAONO-CMDGGOBGSA-N
XLogP1.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-5,6-dihydrocyclopenta[b]thiophen-4-ylidenemethyl]-1-methylpyrrolidine
CID 176832174
2-(trimethylsilylmethylidene)cyclopentan-1-one
CID 72747529
(2S)-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine
CID 155396519
(2Z)-2-(cyclohex-3-en-1-ylmethylidene)cyclopentan-1-one
CID 127260788
(NZ)-N-[(1-methylpyrrolidin-2-yl)methylidene]hydroxylamine
CID 91392408
(2S)-2-ethenyl-1-methylpyrrolidine;propane
CID 172577719
(Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoic acid
CID 170967279
(2R)-2-[(E)-2-methoxyethenyl]-1-methylpyrrolidine
CID 126669652
(Z)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-amine
CID 117265759
(Z)-4-(1-methylpyrrolidin-2-yl)but-3-enoic acid
CID 117267590
2-[(E)-3,3-dimethylhex-1-enyl]-1-methylpyrrolidine
CID 146324329
(2E)-2-(2,2-dimethoxyethylidene)cyclopentan-1-one
CID 154707556

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(1-methylpyrrolidin-2-yl)methylidene]cyclopentan-1-one?
The IUPAC name of (2E)-2-[(1-methylpyrrolidin-2-yl)methylidene]cyclopentan-1-one (CID 56674554) is (2E)-2-[(1-methylpyrrolidin-2-yl)methylidene]cyclopentan-1-one.
What is the SMILES notation for (2E)-2-[(1-methylpyrrolidin-2-yl)methylidene]cyclopentan-1-one?
The canonical SMILES for (2E)-2-[(1-methylpyrrolidin-2-yl)methylidene]cyclopentan-1-one is CN1CCCC1/C=C1\CCCC1=O.
What is the InChIKey of (2E)-2-[(1-methylpyrrolidin-2-yl)methylidene]cyclopentan-1-one?
The InChIKey is KFUDZZZSOUAONO-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H17NO/c1-12-7-3-5-10(12)8-9-4-2-6-11(9)13/h8,10H,2-7H2,1H3/b9-8+.
What are the key properties of (2E)-2-[(1-methylpyrrolidin-2-yl)methylidene]cyclopentan-1-one?
(2E)-2-[(1-methylpyrrolidin-2-yl)methylidene]cyclopentan-1-one has a molecular weight of 179.26 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(1-methylpyrrolidin-2-yl)methylidene]cyclopentan-1-one is sourced from PubChem (CID 56674554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).