(2E)-2-benzylidene-1-cyclopropylpiperidin-4-one

C15H17NO — CID 175132799

IUPAC(2E)-2-benzylidene-1-cyclopropylpiperidin-4-one
SMILESO=C1CCN(C2CC2)/C(=C/c2ccccc2)C1
InChIInChI=1S/C15H17NO/c17-15-8-9-16(13-6-7-13)14(11-15)10-12-4-2-1-3-5-12/h1-5,10,13H,6-9,11H2/b14-10+
InChIKeyYYNXCHGTWJFVAX-GXDHUFHOSA-N
MW227.31 g/mol
LogP2.85
Rot. Bonds2

About (2E)-2-benzylidene-1-cyclopropylpiperidin-4-one

(2E)-2-benzylidene-1-cyclopropylpiperidin-4-one (PubChem CID 175132799) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (2E)-2-benzylidene-1-cyclopropylpiperidin-4-one.

Molecular Properties

Compound Name(2E)-2-benzylidene-1-cyclopropylpiperidin-4-one
PubChem CID175132799
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(2E)-2-benzylidene-1-cyclopropylpiperidin-4-one
SMILESO=C1CCN(C2CC2)/C(=C/c2ccccc2)C1
InChIInChI=1S/C15H17NO/c17-15-8-9-16(13-6-7-13)14(11-15)10-12-4-2-1-3-5-12/h1-5,10,13H,6-9,11H2/b14-10+
InChIKeyYYNXCHGTWJFVAX-GXDHUFHOSA-N
XLogP2.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-benzylidene-1-cyclopropylpiperidin-4-one?
The IUPAC name of (2E)-2-benzylidene-1-cyclopropylpiperidin-4-one (CID 175132799) is (2E)-2-benzylidene-1-cyclopropylpiperidin-4-one.
What is the SMILES notation for (2E)-2-benzylidene-1-cyclopropylpiperidin-4-one?
The canonical SMILES for (2E)-2-benzylidene-1-cyclopropylpiperidin-4-one is O=C1CCN(C2CC2)/C(=C/c2ccccc2)C1.
What is the InChIKey of (2E)-2-benzylidene-1-cyclopropylpiperidin-4-one?
The InChIKey is YYNXCHGTWJFVAX-GXDHUFHOSA-N. The full InChI is InChI=1S/C15H17NO/c17-15-8-9-16(13-6-7-13)14(11-15)10-12-4-2-1-3-5-12/h1-5,10,13H,6-9,11H2/b14-10+.
What are the key properties of (2E)-2-benzylidene-1-cyclopropylpiperidin-4-one?
(2E)-2-benzylidene-1-cyclopropylpiperidin-4-one has a molecular weight of 227.31 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-benzylidene-1-cyclopropylpiperidin-4-one is sourced from PubChem (CID 175132799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).