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

C17H29NO2 — CID 5467297

IUPAC(2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one
SMILESCCCCCC/C=C1\CCC(CN2CCOCC2)C1=O
InChIInChI=1S/C17H29NO2/c1-2-3-4-5-6-7-15-8-9-16(17(15)19)14-18-10-12-20-13-11-18/h7,16H,2-6,8-14H2,1H3/b15-7+
InChIKeyBTPDBCOSUSFBDS-VIZOYTHASA-N
MW279.42 g/mol
LogP3.19
Rot. Bonds7

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

(2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one (PubChem CID 5467297) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is (2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one.

Molecular Properties

Compound Name(2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one
PubChem CID5467297
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name(2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one
SMILESCCCCCC/C=C1\CCC(CN2CCOCC2)C1=O
InChIInChI=1S/C17H29NO2/c1-2-3-4-5-6-7-15-8-9-16(17(15)19)14-18-10-12-20-13-11-18/h7,16H,2-6,8-14H2,1H3/b15-7+
InChIKeyBTPDBCOSUSFBDS-VIZOYTHASA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.19
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-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one?
The IUPAC name of (2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one (CID 5467297) is (2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one.
What is the SMILES notation for (2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one?
The canonical SMILES for (2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one is CCCCCC/C=C1\CCC(CN2CCOCC2)C1=O.
What is the InChIKey of (2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one?
The InChIKey is BTPDBCOSUSFBDS-VIZOYTHASA-N. The full InChI is InChI=1S/C17H29NO2/c1-2-3-4-5-6-7-15-8-9-16(17(15)19)14-18-10-12-20-13-11-18/h7,16H,2-6,8-14H2,1H3/b15-7+.
What are the key properties of (2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one?
(2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one has a molecular weight of 279.42 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one is sourced from PubChem (CID 5467297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).