(2E)-2-decylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one

C20H35NO2 — CID 5467303

IUPAC(2E)-2-decylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one
SMILESCCCCCCCCC/C=C1\CCC(CN2CCOCC2)C1=O
InChIInChI=1S/C20H35NO2/c1-2-3-4-5-6-7-8-9-10-18-11-12-19(20(18)22)17-21-13-15-23-16-14-21/h10,19H,2-9,11-17H2,1H3/b18-10+
InChIKeyDJBFJQYPTAWVDL-VCHYOVAHSA-N
MW321.51 g/mol
LogP4.36
Rot. Bonds10

About (2E)-2-decylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one

(2E)-2-decylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one (PubChem CID 5467303) has the molecular formula C20H35NO2 and a molecular weight of 321.51 g/mol. Its IUPAC name is (2E)-2-decylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one.

Molecular Properties

Compound Name(2E)-2-decylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one
PubChem CID5467303
Molecular FormulaC20H35NO2
Molecular Weight321.51 g/mol
Exact Mass321.27
IUPAC Name(2E)-2-decylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one
SMILESCCCCCCCCC/C=C1\CCC(CN2CCOCC2)C1=O
InChIInChI=1S/C20H35NO2/c1-2-3-4-5-6-7-8-9-10-18-11-12-19(20(18)22)17-21-13-15-23-16-14-21/h10,19H,2-9,11-17H2,1H3/b18-10+
InChIKeyDJBFJQYPTAWVDL-VCHYOVAHSA-N
XLogP4.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-decylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one?
The IUPAC name of (2E)-2-decylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one (CID 5467303) is (2E)-2-decylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one.
What is the SMILES notation for (2E)-2-decylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one?
The canonical SMILES for (2E)-2-decylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one is CCCCCCCCC/C=C1\CCC(CN2CCOCC2)C1=O.
What is the InChIKey of (2E)-2-decylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one?
The InChIKey is DJBFJQYPTAWVDL-VCHYOVAHSA-N. The full InChI is InChI=1S/C20H35NO2/c1-2-3-4-5-6-7-8-9-10-18-11-12-19(20(18)22)17-21-13-15-23-16-14-21/h10,19H,2-9,11-17H2,1H3/b18-10+.
What are the key properties of (2E)-2-decylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one?
(2E)-2-decylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one has a molecular weight of 321.51 g/mol, XLogP of 4.36, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-decylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one is sourced from PubChem (CID 5467303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).