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

C14H23NO2 — CID 6374737

IUPAC(2E)-2-(2-methylpropylidene)-5-(morpholin-4-ylmethyl)cyclopentan-1-one
SMILESCC(C)/C=C1\CCC(CN2CCOCC2)C1=O
InChIInChI=1S/C14H23NO2/c1-11(2)9-12-3-4-13(14(12)16)10-15-5-7-17-8-6-15/h9,11,13H,3-8,10H2,1-2H3/b12-9+
InChIKeyWTWDKDAPMWDNCU-FMIVXFBMSA-N
MW237.34 g/mol
LogP1.88
Rot. Bonds3

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

(2E)-2-(2-methylpropylidene)-5-(morpholin-4-ylmethyl)cyclopentan-1-one (PubChem CID 6374737) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (2E)-2-(2-methylpropylidene)-5-(morpholin-4-ylmethyl)cyclopentan-1-one.

Molecular Properties

Compound Name(2E)-2-(2-methylpropylidene)-5-(morpholin-4-ylmethyl)cyclopentan-1-one
PubChem CID6374737
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(2E)-2-(2-methylpropylidene)-5-(morpholin-4-ylmethyl)cyclopentan-1-one
SMILESCC(C)/C=C1\CCC(CN2CCOCC2)C1=O
InChIInChI=1S/C14H23NO2/c1-11(2)9-12-3-4-13(14(12)16)10-15-5-7-17-8-6-15/h9,11,13H,3-8,10H2,1-2H3/b12-9+
InChIKeyWTWDKDAPMWDNCU-FMIVXFBMSA-N
XLogP1.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.88
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

2-(Morpholin-4-ylmethyl)-5-propan-2-ylidenecyclopentan-1-one;hydrochloride
CID 368458
(5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one;hydrochloride
CID 5467291
(2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride
CID 5467296
(2E)-2-decylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride
CID 5467302
(2E)-2-hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride
CID 21141930
(2E)-2-butan-2-ylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride
CID 50988763
(2E)-2-(2-methylpropylidene)-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride
CID 54608095
Cyclopentanone, 2-pentylidene-5-[(1-piperidinyl)methyl]-hydrochloride
CID 54608096
(5E)-2-(morpholin-4-ylmethyl)-5-nonylidenecyclopentan-1-one;hydrochloride
CID 54612513
4,4-Dimethyl-6-(morpholin-4-ylmethyl)cyclohex-2-en-1-one
CID 57208953
2,6,6-Trimethyl-5-morpholin-4-ylcyclohex-2-en-1-one
CID 12840229
2-(Morpholin-4-ylmethyl)-5-propan-2-ylidenecyclopentan-1-one
CID 368459

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2-methylpropylidene)-5-(morpholin-4-ylmethyl)cyclopentan-1-one?
The IUPAC name of (2E)-2-(2-methylpropylidene)-5-(morpholin-4-ylmethyl)cyclopentan-1-one (CID 6374737) is (2E)-2-(2-methylpropylidene)-5-(morpholin-4-ylmethyl)cyclopentan-1-one.
What is the SMILES notation for (2E)-2-(2-methylpropylidene)-5-(morpholin-4-ylmethyl)cyclopentan-1-one?
The canonical SMILES for (2E)-2-(2-methylpropylidene)-5-(morpholin-4-ylmethyl)cyclopentan-1-one is CC(C)/C=C1\CCC(CN2CCOCC2)C1=O.
What is the InChIKey of (2E)-2-(2-methylpropylidene)-5-(morpholin-4-ylmethyl)cyclopentan-1-one?
The InChIKey is WTWDKDAPMWDNCU-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(2)9-12-3-4-13(14(12)16)10-15-5-7-17-8-6-15/h9,11,13H,3-8,10H2,1-2H3/b12-9+.
What are the key properties of (2E)-2-(2-methylpropylidene)-5-(morpholin-4-ylmethyl)cyclopentan-1-one?
(2E)-2-(2-methylpropylidene)-5-(morpholin-4-ylmethyl)cyclopentan-1-one has a molecular weight of 237.34 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2-methylpropylidene)-5-(morpholin-4-ylmethyl)cyclopentan-1-one is sourced from PubChem (CID 6374737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).