(3E)-3-(piperidin-1-ylmethylidene)chromen-4-one

C15H17NO2 — CID 12626428

IUPAC(3E)-3-(piperidin-1-ylmethylidene)chromen-4-one
SMILESO=C1/C(=C/N2CCCCC2)COc2ccccc21
InChIInChI=1S/C15H17NO2/c17-15-12(10-16-8-4-1-5-9-16)11-18-14-7-3-2-6-13(14)15/h2-3,6-7,10H,1,4-5,8-9,11H2/b12-10+
InChIKeyAMEGOHMEEQDGAV-ZRDIBKRKSA-N
MW243.31 g/mol
LogP2.63
Rot. Bonds1

About (3E)-3-(piperidin-1-ylmethylidene)chromen-4-one

(3E)-3-(piperidin-1-ylmethylidene)chromen-4-one (PubChem CID 12626428) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (3E)-3-(piperidin-1-ylmethylidene)chromen-4-one.

Molecular Properties

Compound Name(3E)-3-(piperidin-1-ylmethylidene)chromen-4-one
PubChem CID12626428
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(3E)-3-(piperidin-1-ylmethylidene)chromen-4-one
SMILESO=C1/C(=C/N2CCCCC2)COc2ccccc21
InChIInChI=1S/C15H17NO2/c17-15-12(10-16-8-4-1-5-9-16)11-18-14-7-3-2-6-13(14)15/h2-3,6-7,10H,1,4-5,8-9,11H2/b12-10+
InChIKeyAMEGOHMEEQDGAV-ZRDIBKRKSA-N
XLogP2.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-(cyclohexylmethylidene)chromen-4-one
CID 135076028
3-[(4-fluorophenyl)methylidene]chromen-4-one
CID 901865
3-[(4-bromophenyl)methylidene]chromen-4-one
CID 915612
3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]chromen-4-one
CID 74603716
(3Z)-3-[(3-methylphenyl)methylidene]chromen-4-one
CID 2623286
(3Z)-3-[(4-fluorophenyl)tellanylmethylidene]chromen-4-one
CID 134933237
3-[[4-(trifluoromethyl)phenyl]methylidene]chromen-4-one
CID 2733028
(3Z)-3-[(2-nitrophenyl)methylidene]chromen-4-one
CID 2449547
3-[(4-phenoxyphenyl)methylidene]chromen-4-one
CID 4029259
(3E)-3-[(4-cyclohexyl-3-fluorophenyl)methylidene]chromen-4-one
CID 139083777
3-(chloromethylidene)-1-benzofuran
CID 177398897
(3E)-3-(fluoromethylidene)-1-benzofuran
CID 177400604

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(piperidin-1-ylmethylidene)chromen-4-one?
The IUPAC name of (3E)-3-(piperidin-1-ylmethylidene)chromen-4-one (CID 12626428) is (3E)-3-(piperidin-1-ylmethylidene)chromen-4-one.
What is the SMILES notation for (3E)-3-(piperidin-1-ylmethylidene)chromen-4-one?
The canonical SMILES for (3E)-3-(piperidin-1-ylmethylidene)chromen-4-one is O=C1/C(=C/N2CCCCC2)COc2ccccc21.
What is the InChIKey of (3E)-3-(piperidin-1-ylmethylidene)chromen-4-one?
The InChIKey is AMEGOHMEEQDGAV-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H17NO2/c17-15-12(10-16-8-4-1-5-9-16)11-18-14-7-3-2-6-13(14)15/h2-3,6-7,10H,1,4-5,8-9,11H2/b12-10+.
What are the key properties of (3E)-3-(piperidin-1-ylmethylidene)chromen-4-one?
(3E)-3-(piperidin-1-ylmethylidene)chromen-4-one has a molecular weight of 243.31 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(piperidin-1-ylmethylidene)chromen-4-one is sourced from PubChem (CID 12626428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).