(5E)-2-[(dimethylamino)methyl]-5-(2-methylpropylidene)cyclopentan-1-one

C12H21NO — CID 6375330

IUPAC(5E)-2-[(dimethylamino)methyl]-5-(2-methylpropylidene)cyclopentan-1-one
SMILESCC(C)/C=C1\CCC(CN(C)C)C1=O
InChIInChI=1S/C12H21NO/c1-9(2)7-10-5-6-11(12(10)14)8-13(3)4/h7,9,11H,5-6,8H2,1-4H3/b10-7+
InChIKeyNDYFREKJASARRR-JXMROGBWSA-N
MW195.31 g/mol
LogP2.11
Rot. Bonds3

About (5E)-2-[(dimethylamino)methyl]-5-(2-methylpropylidene)cyclopentan-1-one

(5E)-2-[(dimethylamino)methyl]-5-(2-methylpropylidene)cyclopentan-1-one (PubChem CID 6375330) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (5E)-2-[(dimethylamino)methyl]-5-(2-methylpropylidene)cyclopentan-1-one.

Molecular Properties

Compound Name(5E)-2-[(dimethylamino)methyl]-5-(2-methylpropylidene)cyclopentan-1-one
PubChem CID6375330
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(5E)-2-[(dimethylamino)methyl]-5-(2-methylpropylidene)cyclopentan-1-one
SMILESCC(C)/C=C1\CCC(CN(C)C)C1=O
InChIInChI=1S/C12H21NO/c1-9(2)7-10-5-6-11(12(10)14)8-13(3)4/h7,9,11H,5-6,8H2,1-4H3/b10-7+
InChIKeyNDYFREKJASARRR-JXMROGBWSA-N
XLogP2.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.11
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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Frequently Asked Questions

What is the IUPAC name of (5E)-2-[(dimethylamino)methyl]-5-(2-methylpropylidene)cyclopentan-1-one?
The IUPAC name of (5E)-2-[(dimethylamino)methyl]-5-(2-methylpropylidene)cyclopentan-1-one (CID 6375330) is (5E)-2-[(dimethylamino)methyl]-5-(2-methylpropylidene)cyclopentan-1-one.
What is the SMILES notation for (5E)-2-[(dimethylamino)methyl]-5-(2-methylpropylidene)cyclopentan-1-one?
The canonical SMILES for (5E)-2-[(dimethylamino)methyl]-5-(2-methylpropylidene)cyclopentan-1-one is CC(C)/C=C1\CCC(CN(C)C)C1=O.
What is the InChIKey of (5E)-2-[(dimethylamino)methyl]-5-(2-methylpropylidene)cyclopentan-1-one?
The InChIKey is NDYFREKJASARRR-JXMROGBWSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(2)7-10-5-6-11(12(10)14)8-13(3)4/h7,9,11H,5-6,8H2,1-4H3/b10-7+.
What are the key properties of (5E)-2-[(dimethylamino)methyl]-5-(2-methylpropylidene)cyclopentan-1-one?
(5E)-2-[(dimethylamino)methyl]-5-(2-methylpropylidene)cyclopentan-1-one has a molecular weight of 195.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-[(dimethylamino)methyl]-5-(2-methylpropylidene)cyclopentan-1-one is sourced from PubChem (CID 6375330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).