2-[[4-(dimethoxyamino)phenyl]methylidene]cyclopentan-1-one

C14H17NO3 — CID 174576887

IUPAC2-[[4-(dimethoxyamino)phenyl]methylidene]cyclopentan-1-one
SMILESCON(OC)c1ccc(C=C2CCCC2=O)cc1
InChIInChI=1S/C14H17NO3/c1-17-15(18-2)13-8-6-11(7-9-13)10-12-4-3-5-14(12)16/h6-10H,3-5H2,1-2H3
InChIKeySTOUOTIYJYZXIW-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.75
Rot. Bonds4

About 2-[[4-(dimethoxyamino)phenyl]methylidene]cyclopentan-1-one

2-[[4-(dimethoxyamino)phenyl]methylidene]cyclopentan-1-one (PubChem CID 174576887) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[[4-(dimethoxyamino)phenyl]methylidene]cyclopentan-1-one.

Molecular Properties

Compound Name2-[[4-(dimethoxyamino)phenyl]methylidene]cyclopentan-1-one
PubChem CID174576887
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-[[4-(dimethoxyamino)phenyl]methylidene]cyclopentan-1-one
SMILESCON(OC)c1ccc(C=C2CCCC2=O)cc1
InChIInChI=1S/C14H17NO3/c1-17-15(18-2)13-8-6-11(7-9-13)10-12-4-3-5-14(12)16/h6-10H,3-5H2,1-2H3
InChIKeySTOUOTIYJYZXIW-UHFFFAOYSA-N
XLogP2.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[(4-ethylphenyl)methylidene]cyclopentan-1-one
CID 122707370
2-[(4-fluorophenyl)methylidene]cyclopentan-1-one;N,N,4-trimethylaniline
CID 174752961
2-[(4-tert-butylphenyl)methylidene]cyclohexan-1-one
CID 72644283
2-[(4-fluorophenyl)methylidene]cyclohexan-1-one
CID 54228214
(2Z)-2-[(4-chlorophenyl)methylidene]cyclohexan-1-one
CID 6450877
2-[(4-ethoxyphenyl)methylidene]cyclohexan-1-one
CID 68643092
(2Z)-2-[(4-propan-2-yloxyphenyl)methylidene]cyclohexan-1-one
CID 68642964
(2E)-2-[(4-chlorophenyl)methylidene]cyclooctan-1-one
CID 12682640
2,6-bis[[4-(diethylamino)phenyl]methylidene]cyclohexan-1-one
CID 3385046
2-[(3-methoxyphenyl)methylidene]cyclopentan-1-one;N,N,4-trimethylaniline
CID 174753342
2,3-bis[(4-chlorophenyl)methylidene]cyclohexan-1-one
CID 164714423
(2E,6E)-2-benzylidene-6-[[4-(dimethylamino)phenyl]methylidene]cyclohexan-1-one
CID 2313555

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethoxyamino)phenyl]methylidene]cyclopentan-1-one?
The IUPAC name of 2-[[4-(dimethoxyamino)phenyl]methylidene]cyclopentan-1-one (CID 174576887) is 2-[[4-(dimethoxyamino)phenyl]methylidene]cyclopentan-1-one.
What is the SMILES notation for 2-[[4-(dimethoxyamino)phenyl]methylidene]cyclopentan-1-one?
The canonical SMILES for 2-[[4-(dimethoxyamino)phenyl]methylidene]cyclopentan-1-one is CON(OC)c1ccc(C=C2CCCC2=O)cc1.
What is the InChIKey of 2-[[4-(dimethoxyamino)phenyl]methylidene]cyclopentan-1-one?
The InChIKey is STOUOTIYJYZXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-17-15(18-2)13-8-6-11(7-9-13)10-12-4-3-5-14(12)16/h6-10H,3-5H2,1-2H3.
What are the key properties of 2-[[4-(dimethoxyamino)phenyl]methylidene]cyclopentan-1-one?
2-[[4-(dimethoxyamino)phenyl]methylidene]cyclopentan-1-one has a molecular weight of 247.29 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethoxyamino)phenyl]methylidene]cyclopentan-1-one is sourced from PubChem (CID 174576887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).