(NE)-N-[3-butyl-2-(4-fluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine

C15H18FNO — CID 11651705

IUPAC(NE)-N-[3-butyl-2-(4-fluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine
SMILESCCCCC1=C(c2ccc(F)cc2)/C(=N/O)CC1
InChIInChI=1S/C15H18FNO/c1-2-3-4-11-7-10-14(17-18)15(11)12-5-8-13(16)9-6-12/h5-6,8-9,18H,2-4,7,10H2,1H3/b17-14+
InChIKeyMMWSAXXRDSBSMZ-SAPNQHFASA-N
MW247.31 g/mol
LogP4.39
Rot. Bonds4

About (NE)-N-[3-butyl-2-(4-fluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine

(NE)-N-[3-butyl-2-(4-fluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine (PubChem CID 11651705) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is (NE)-N-[3-butyl-2-(4-fluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[3-butyl-2-(4-fluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine
PubChem CID11651705
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name(NE)-N-[3-butyl-2-(4-fluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine
SMILESCCCCC1=C(c2ccc(F)cc2)/C(=N/O)CC1
InChIInChI=1S/C15H18FNO/c1-2-3-4-11-7-10-14(17-18)15(11)12-5-8-13(16)9-6-12/h5-6,8-9,18H,2-4,7,10H2,1H3/b17-14+
InChIKeyMMWSAXXRDSBSMZ-SAPNQHFASA-N
XLogP4.39
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[3-butyl-2-(4-fluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[3-butyl-2-(4-fluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[3-butyl-2-(4-fluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine (CID 11651705) is (NE)-N-[3-butyl-2-(4-fluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[3-butyl-2-(4-fluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[3-butyl-2-(4-fluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine is CCCCC1=C(c2ccc(F)cc2)/C(=N/O)CC1.
What is the InChIKey of (NE)-N-[3-butyl-2-(4-fluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine?
The InChIKey is MMWSAXXRDSBSMZ-SAPNQHFASA-N. The full InChI is InChI=1S/C15H18FNO/c1-2-3-4-11-7-10-14(17-18)15(11)12-5-8-13(16)9-6-12/h5-6,8-9,18H,2-4,7,10H2,1H3/b17-14+.
What are the key properties of (NE)-N-[3-butyl-2-(4-fluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine?
(NE)-N-[3-butyl-2-(4-fluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine has a molecular weight of 247.31 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[3-butyl-2-(4-fluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine is sourced from PubChem (CID 11651705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).