(2Z,5Z)-2,5-bis[(4-aminophenyl)methylidene]cyclopentan-1-one

C19H18N2O — CID 142412170

IUPAC(2Z,5Z)-2,5-bis[(4-aminophenyl)methylidene]cyclopentan-1-one
SMILESNc1ccc(/C=C2/CC/C(=C/c3ccc(N)cc3)C2=O)cc1
InChIInChI=1S/C19H18N2O/c20-17-7-1-13(2-8-17)11-15-5-6-16(19(15)22)12-14-3-9-18(21)10-4-14/h1-4,7-12H,5-6,20-21H2/b15-11-,16-12-
InChIKeyDLQPDDLGAUKGFS-NFLUSIDLSA-N
MW290.37 g/mol
LogP3.68
Rot. Bonds2

About (2Z,5Z)-2,5-bis[(4-aminophenyl)methylidene]cyclopentan-1-one

(2Z,5Z)-2,5-bis[(4-aminophenyl)methylidene]cyclopentan-1-one (PubChem CID 142412170) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is (2Z,5Z)-2,5-bis[(4-aminophenyl)methylidene]cyclopentan-1-one.

Molecular Properties

Compound Name(2Z,5Z)-2,5-bis[(4-aminophenyl)methylidene]cyclopentan-1-one
PubChem CID142412170
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name(2Z,5Z)-2,5-bis[(4-aminophenyl)methylidene]cyclopentan-1-one
SMILESNc1ccc(/C=C2/CC/C(=C/c3ccc(N)cc3)C2=O)cc1
InChIInChI=1S/C19H18N2O/c20-17-7-1-13(2-8-17)11-15-5-6-16(19(15)22)12-14-3-9-18(21)10-4-14/h1-4,7-12H,5-6,20-21H2/b15-11-,16-12-
InChIKeyDLQPDDLGAUKGFS-NFLUSIDLSA-N
XLogP3.68
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-2,5-bis[(4-chlorophenyl)methylidene]cyclopentan-1-one
CID 694487
(2Z,5E)-2,5-bis[(4-phenylphenyl)methylidene]cyclopentan-1-one
CID 2313575
(2E,6E)-2,6-bis[(4-aminophenyl)methylidene]-4-ethylcyclohexan-1-one
CID 126500097
2,5-bis[(2,4-diaminophenyl)methylidene]cyclopentan-1-one
CID 141291746
(2Z,5Z)-2,5-bis[[4-[di(propan-2-yl)amino]phenyl]methylidene]cyclopentan-1-one
CID 177384592
(2E,7E)-2,7-bis[(4-fluorophenyl)methylidene]cycloheptan-1-one
CID 6308455
(6E)-2,6-bis[(4-methylphenyl)methylidene]cyclohexan-1-one
CID 6991055
2-[(4-aminophenyl)methylidene]-4-methylcyclohexan-1-one
CID 150516448
(2E,6E)-2,6-bis[(E)-3-(4-aminophenyl)prop-2-enylidene]cyclohexan-1-one
CID 144552315
(6E)-2,6-dibenzylidenecyclohexan-1-one
CID 1240877
(2E,8E)-2,8-bis[(3-aminophenyl)methylidene]cyclooctan-1-one
CID 46887733
(2E,8E)-2,8-dibenzylidenecyclooctan-1-one
CID 6439695

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2,5-bis[(4-aminophenyl)methylidene]cyclopentan-1-one?
The IUPAC name of (2Z,5Z)-2,5-bis[(4-aminophenyl)methylidene]cyclopentan-1-one (CID 142412170) is (2Z,5Z)-2,5-bis[(4-aminophenyl)methylidene]cyclopentan-1-one.
What is the SMILES notation for (2Z,5Z)-2,5-bis[(4-aminophenyl)methylidene]cyclopentan-1-one?
The canonical SMILES for (2Z,5Z)-2,5-bis[(4-aminophenyl)methylidene]cyclopentan-1-one is Nc1ccc(/C=C2/CC/C(=C/c3ccc(N)cc3)C2=O)cc1.
What is the InChIKey of (2Z,5Z)-2,5-bis[(4-aminophenyl)methylidene]cyclopentan-1-one?
The InChIKey is DLQPDDLGAUKGFS-NFLUSIDLSA-N. The full InChI is InChI=1S/C19H18N2O/c20-17-7-1-13(2-8-17)11-15-5-6-16(19(15)22)12-14-3-9-18(21)10-4-14/h1-4,7-12H,5-6,20-21H2/b15-11-,16-12-.
What are the key properties of (2Z,5Z)-2,5-bis[(4-aminophenyl)methylidene]cyclopentan-1-one?
(2Z,5Z)-2,5-bis[(4-aminophenyl)methylidene]cyclopentan-1-one has a molecular weight of 290.37 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-2,5-bis[(4-aminophenyl)methylidene]cyclopentan-1-one is sourced from PubChem (CID 142412170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).