(Z,4Z)-3-methoxy-4-(2-methylidenecyclopentylidene)-1-piperidin-1-ylbut-2-en-1-one

C16H23NO2 — CID 131996349

IUPAC(Z,4Z)-3-methoxy-4-(2-methylidenecyclopentylidene)-1-piperidin-1-ylbut-2-en-1-one
SMILESC=C1CCC/C1=C/C(=C/C(=O)N1CCCCC1)OC
InChIInChI=1S/C16H23NO2/c1-13-7-6-8-14(13)11-15(19-2)12-16(18)17-9-4-3-5-10-17/h11-12H,1,3-10H2,2H3/b14-11-,15-12-
InChIKeyIXDKYFQHFHDWBQ-GFCQZRJLSA-N
MW261.36 g/mol
LogP3.20
Rot. Bonds3

About (Z,4Z)-3-methoxy-4-(2-methylidenecyclopentylidene)-1-piperidin-1-ylbut-2-en-1-one

(Z,4Z)-3-methoxy-4-(2-methylidenecyclopentylidene)-1-piperidin-1-ylbut-2-en-1-one (PubChem CID 131996349) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (Z,4Z)-3-methoxy-4-(2-methylidenecyclopentylidene)-1-piperidin-1-ylbut-2-en-1-one.

Molecular Properties

Compound Name(Z,4Z)-3-methoxy-4-(2-methylidenecyclopentylidene)-1-piperidin-1-ylbut-2-en-1-one
PubChem CID131996349
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(Z,4Z)-3-methoxy-4-(2-methylidenecyclopentylidene)-1-piperidin-1-ylbut-2-en-1-one
SMILESC=C1CCC/C1=C/C(=C/C(=O)N1CCCCC1)OC
InChIInChI=1S/C16H23NO2/c1-13-7-6-8-14(13)11-15(19-2)12-16(18)17-9-4-3-5-10-17/h11-12H,1,3-10H2,2H3/b14-11-,15-12-
InChIKeyIXDKYFQHFHDWBQ-GFCQZRJLSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,4Z)-3-methoxy-4-(2-methylidenecyclopentylidene)-1-piperidin-1-ylbut-2-en-1-one?
The IUPAC name of (Z,4Z)-3-methoxy-4-(2-methylidenecyclopentylidene)-1-piperidin-1-ylbut-2-en-1-one (CID 131996349) is (Z,4Z)-3-methoxy-4-(2-methylidenecyclopentylidene)-1-piperidin-1-ylbut-2-en-1-one.
What is the SMILES notation for (Z,4Z)-3-methoxy-4-(2-methylidenecyclopentylidene)-1-piperidin-1-ylbut-2-en-1-one?
The canonical SMILES for (Z,4Z)-3-methoxy-4-(2-methylidenecyclopentylidene)-1-piperidin-1-ylbut-2-en-1-one is C=C1CCC/C1=C/C(=C/C(=O)N1CCCCC1)OC.
What is the InChIKey of (Z,4Z)-3-methoxy-4-(2-methylidenecyclopentylidene)-1-piperidin-1-ylbut-2-en-1-one?
The InChIKey is IXDKYFQHFHDWBQ-GFCQZRJLSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13-7-6-8-14(13)11-15(19-2)12-16(18)17-9-4-3-5-10-17/h11-12H,1,3-10H2,2H3/b14-11-,15-12-.
What are the key properties of (Z,4Z)-3-methoxy-4-(2-methylidenecyclopentylidene)-1-piperidin-1-ylbut-2-en-1-one?
(Z,4Z)-3-methoxy-4-(2-methylidenecyclopentylidene)-1-piperidin-1-ylbut-2-en-1-one has a molecular weight of 261.36 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4Z)-3-methoxy-4-(2-methylidenecyclopentylidene)-1-piperidin-1-ylbut-2-en-1-one is sourced from PubChem (CID 131996349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).