N-[2-[3-(2-butyl-5-hydroxyiminocyclopenten-1-yl)phenyl]ethylidene]hydroxylamine

C17H22N2O2 — CID 141142376

IUPACN-[2-[3-(2-butyl-5-hydroxyiminocyclopenten-1-yl)phenyl]ethylidene]hydroxylamine
SMILESCCCCC1=C(c2cccc(CC=NO)c2)C(=NO)CC1
InChIInChI=1S/C17H22N2O2/c1-2-3-6-14-8-9-16(19-21)17(14)15-7-4-5-13(12-15)10-11-18-20/h4-5,7,11-12,20-21H,2-3,6,8-10H2,1H3
InChIKeySZQVSNPTXQNFPQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.26
Rot. Bonds6

About N-[2-[3-(2-butyl-5-hydroxyiminocyclopenten-1-yl)phenyl]ethylidene]hydroxylamine

N-[2-[3-(2-butyl-5-hydroxyiminocyclopenten-1-yl)phenyl]ethylidene]hydroxylamine (PubChem CID 141142376) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[2-[3-(2-butyl-5-hydroxyiminocyclopenten-1-yl)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-[3-(2-butyl-5-hydroxyiminocyclopenten-1-yl)phenyl]ethylidene]hydroxylamine
PubChem CID141142376
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[2-[3-(2-butyl-5-hydroxyiminocyclopenten-1-yl)phenyl]ethylidene]hydroxylamine
SMILESCCCCC1=C(c2cccc(CC=NO)c2)C(=NO)CC1
InChIInChI=1S/C17H22N2O2/c1-2-3-6-14-8-9-16(19-21)17(14)15-7-4-5-13(12-15)10-11-18-20/h4-5,7,11-12,20-21H,2-3,6,8-10H2,1H3
InChIKeySZQVSNPTXQNFPQ-UHFFFAOYSA-N
XLogP4.26
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

N-[2-(3-aminophenyl)-3-butylcyclopent-2-en-1-ylidene]hydroxylamine
CID 73030610
(NE)-N-[2-(3,4-difluorophenyl)-3-pentylcyclopent-2-en-1-ylidene]hydroxylamine
CID 11623281
3-butyl-2-[3-(hydroxymethyl)phenyl]cyclopent-2-en-1-one
CID 66879208
[3-[2-butyl-5-(hydroxyiminomethyl)cyclopenten-1-yl]phenyl]methanol
CID 174528362
(NE)-N-(2-naphthalen-1-yl-3-pentylcyclopent-2-en-1-ylidene)hydroxylamine
CID 11558391
3-butyl-2-[3-(nitrosomethyl)phenyl]cyclopent-2-en-1-one
CID 91597941
(E)-2-(3-propylphenyl)-N-[(E)-2-(3-propylphenyl)ethylideneamino]ethanimine
CID 168941317
1-butyl-3-prop-2-enylbenzene
CID 140596641
(NE)-N-(5-pentyl-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 87785621
4-(3-butylphenyl)-2,6-dimethylphenol
CID 157070879
1-butyl-3-(4-pentylphenyl)benzene
CID 123269594
3-[(5Z)-2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl]phenol
CID 143236764

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-butyl-5-hydroxyiminocyclopenten-1-yl)phenyl]ethylidene]hydroxylamine?
The IUPAC name of N-[2-[3-(2-butyl-5-hydroxyiminocyclopenten-1-yl)phenyl]ethylidene]hydroxylamine (CID 141142376) is N-[2-[3-(2-butyl-5-hydroxyiminocyclopenten-1-yl)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[2-[3-(2-butyl-5-hydroxyiminocyclopenten-1-yl)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for N-[2-[3-(2-butyl-5-hydroxyiminocyclopenten-1-yl)phenyl]ethylidene]hydroxylamine is CCCCC1=C(c2cccc(CC=NO)c2)C(=NO)CC1.
What is the InChIKey of N-[2-[3-(2-butyl-5-hydroxyiminocyclopenten-1-yl)phenyl]ethylidene]hydroxylamine?
The InChIKey is SZQVSNPTXQNFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-3-6-14-8-9-16(19-21)17(14)15-7-4-5-13(12-15)10-11-18-20/h4-5,7,11-12,20-21H,2-3,6,8-10H2,1H3.
What are the key properties of N-[2-[3-(2-butyl-5-hydroxyiminocyclopenten-1-yl)phenyl]ethylidene]hydroxylamine?
N-[2-[3-(2-butyl-5-hydroxyiminocyclopenten-1-yl)phenyl]ethylidene]hydroxylamine has a molecular weight of 286.38 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-butyl-5-hydroxyiminocyclopenten-1-yl)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 141142376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).