N-[1-[2-[(3-methylcyclopentylidene)amino]phenyl]ethylidene]hydroxylamine

C14H18N2O — CID 59114586

IUPACN-[1-[2-[(3-methylcyclopentylidene)amino]phenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ccccc1/N=C1\CCC(C)C1
InChIInChI=1S/C14H18N2O/c1-10-7-8-12(9-10)15-14-6-4-3-5-13(14)11(2)16-17/h3-6,10,17H,7-9H2,1-2H3/b15-12+,16-11?
InChIKeyMGPYJLDOWCFSNA-ANRJPOMSSA-N
MW230.31 g/mol
LogP3.78
Rot. Bonds2

About N-[1-[2-[(3-methylcyclopentylidene)amino]phenyl]ethylidene]hydroxylamine

N-[1-[2-[(3-methylcyclopentylidene)amino]phenyl]ethylidene]hydroxylamine (PubChem CID 59114586) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[1-[2-[(3-methylcyclopentylidene)amino]phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[2-[(3-methylcyclopentylidene)amino]phenyl]ethylidene]hydroxylamine
PubChem CID59114586
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[1-[2-[(3-methylcyclopentylidene)amino]phenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ccccc1/N=C1\CCC(C)C1
InChIInChI=1S/C14H18N2O/c1-10-7-8-12(9-10)15-14-6-4-3-5-13(14)11(2)16-17/h3-6,10,17H,7-9H2,1-2H3/b15-12+,16-11?
InChIKeyMGPYJLDOWCFSNA-ANRJPOMSSA-N
XLogP3.78
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(3-methylcyclopentylidene)amino]phenyl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[2-[(3-methylcyclopentylidene)amino]phenyl]ethylidene]hydroxylamine (CID 59114586) is N-[1-[2-[(3-methylcyclopentylidene)amino]phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[2-[(3-methylcyclopentylidene)amino]phenyl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[2-[(3-methylcyclopentylidene)amino]phenyl]ethylidene]hydroxylamine is CC(=NO)c1ccccc1/N=C1\CCC(C)C1.
What is the InChIKey of N-[1-[2-[(3-methylcyclopentylidene)amino]phenyl]ethylidene]hydroxylamine?
The InChIKey is MGPYJLDOWCFSNA-ANRJPOMSSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-7-8-12(9-10)15-14-6-4-3-5-13(14)11(2)16-17/h3-6,10,17H,7-9H2,1-2H3/b15-12+,16-11?.
What are the key properties of N-[1-[2-[(3-methylcyclopentylidene)amino]phenyl]ethylidene]hydroxylamine?
N-[1-[2-[(3-methylcyclopentylidene)amino]phenyl]ethylidene]hydroxylamine has a molecular weight of 230.31 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(3-methylcyclopentylidene)amino]phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 59114586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).