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

C17H30ClNO2 — CID 5467296

IUPAC(2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride
SMILESCCCCCC/C=C1\CCC(CN2CCOCC2)C1=O.Cl
InChIInChI=1S/C17H29NO2.ClH/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;1H/b15-7+;
InChIKeyANDLESYYMFDWQE-HAZZGOGXSA-N
MW315.89 g/mol
LogP3.62
Rot. Bonds7

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

(2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride (PubChem CID 5467296) has the molecular formula C17H30ClNO2 and a molecular weight of 315.89 g/mol. Its IUPAC name is (2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride.

Molecular Properties

Compound Name(2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride
PubChem CID5467296
Molecular FormulaC17H30ClNO2
Molecular Weight315.89 g/mol
Exact Mass315.20
IUPAC Name(2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride
SMILESCCCCCC/C=C1\CCC(CN2CCOCC2)C1=O.Cl
InChIInChI=1S/C17H29NO2.ClH/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;1H/b15-7+;
InChIKeyANDLESYYMFDWQE-HAZZGOGXSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.89
LogP ≤ 53.62
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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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-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
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
(5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one
CID 5467292
(2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one
CID 5467297

Frequently Asked Questions

What is the IUPAC name of (2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride?
The IUPAC name of (2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride (CID 5467296) is (2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride.
What is the SMILES notation for (2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride?
The canonical SMILES for (2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride is CCCCCC/C=C1\CCC(CN2CCOCC2)C1=O.Cl.
What is the InChIKey of (2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride?
The InChIKey is ANDLESYYMFDWQE-HAZZGOGXSA-N. The full InChI is InChI=1S/C17H29NO2.ClH/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;1H/b15-7+;.
What are the key properties of (2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride?
(2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride has a molecular weight of 315.89 g/mol, XLogP of 3.62, 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;hydrochloride is sourced from PubChem (CID 5467296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).