(NZ)-N-butan-2-ylidenehydroxylamine;N-pentan-3-ylidenehydroxylamine

C9H20N2O2 — CID 172954644

IUPAC(NZ)-N-butan-2-ylidenehydroxylamine;N-pentan-3-ylidenehydroxylamine
SMILESCC/C(C)=N\O.CCC(CC)=NO
InChIInChI=1S/C5H11NO.C4H9NO/c1-3-5(4-2)6-7;1-3-4(2)5-6/h7H,3-4H2,1-2H3;6H,3H2,1-2H3/b;5-4-
InChIKeyOMCSHNABVQCJNA-GUHKXDMSSA-N
MW188.27 g/mol
LogP2.88
Rot. Bonds3

About (NZ)-N-butan-2-ylidenehydroxylamine;N-pentan-3-ylidenehydroxylamine

(NZ)-N-butan-2-ylidenehydroxylamine;N-pentan-3-ylidenehydroxylamine (PubChem CID 172954644) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (NZ)-N-butan-2-ylidenehydroxylamine;N-pentan-3-ylidenehydroxylamine.

Molecular Properties

Compound Name(NZ)-N-butan-2-ylidenehydroxylamine;N-pentan-3-ylidenehydroxylamine
PubChem CID172954644
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name(NZ)-N-butan-2-ylidenehydroxylamine;N-pentan-3-ylidenehydroxylamine
SMILESCC/C(C)=N\O.CCC(CC)=NO
InChIInChI=1S/C5H11NO.C4H9NO/c1-3-5(4-2)6-7;1-3-4(2)5-6/h7H,3-4H2,1-2H3;6H,3H2,1-2H3/b;5-4-
InChIKeyOMCSHNABVQCJNA-GUHKXDMSSA-N
XLogP2.88
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.88
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-butan-2-ylidenehydroxylamine
CID 7292
N-butan-2-ylidenehydroxylamine;vanadium
CID 162258260
(NE)-N-butan-2-ylidenehydroxylamine;methoxymethane
CID 89392475
N-butan-2-ylidenehydroxylamine;carbonic acid
CID 87857804
acetic acid;N-butan-2-ylidenehydroxylamine
CID 175319893
N-methylpentan-3-imine;N-pentan-3-ylidenehydroxylamine
CID 159028585
formamide;N-pentan-3-ylidenehydroxylamine
CID 158590176
(5E)-5-hydroxyiminoheptan-3-one
CID 88798482
N-[1-(disulfanyl)butan-2-ylidene]hydroxylamine
CID 141048207
bis(N-butan-2-ylidenehydroxylamine);N-(1-phenyl-1-silylbutan-2-ylidene)hydroxylamine
CID 173213543
(NE)-N-[1-[[(2Z)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine
CID 134834887
(NZ)-N-[1-[bis[(2E)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine
CID 177404111

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-butan-2-ylidenehydroxylamine;N-pentan-3-ylidenehydroxylamine?
The IUPAC name of (NZ)-N-butan-2-ylidenehydroxylamine;N-pentan-3-ylidenehydroxylamine (CID 172954644) is (NZ)-N-butan-2-ylidenehydroxylamine;N-pentan-3-ylidenehydroxylamine.
What is the SMILES notation for (NZ)-N-butan-2-ylidenehydroxylamine;N-pentan-3-ylidenehydroxylamine?
The canonical SMILES for (NZ)-N-butan-2-ylidenehydroxylamine;N-pentan-3-ylidenehydroxylamine is CC/C(C)=N\O.CCC(CC)=NO.
What is the InChIKey of (NZ)-N-butan-2-ylidenehydroxylamine;N-pentan-3-ylidenehydroxylamine?
The InChIKey is OMCSHNABVQCJNA-GUHKXDMSSA-N. The full InChI is InChI=1S/C5H11NO.C4H9NO/c1-3-5(4-2)6-7;1-3-4(2)5-6/h7H,3-4H2,1-2H3;6H,3H2,1-2H3/b;5-4-.
What are the key properties of (NZ)-N-butan-2-ylidenehydroxylamine;N-pentan-3-ylidenehydroxylamine?
(NZ)-N-butan-2-ylidenehydroxylamine;N-pentan-3-ylidenehydroxylamine has a molecular weight of 188.27 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-butan-2-ylidenehydroxylamine;N-pentan-3-ylidenehydroxylamine is sourced from PubChem (CID 172954644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).