1-butan-2-ylazirine;zinc

C6H10NZn- — CID 163589614

IUPAC1-butan-2-ylazirine;zinc
SMILES[CH2-]CC(C)N1C=C1.[Zn]
InChIInChI=1S/C6H10N.Zn/c1-3-6(2)7-4-5-7;/h4-6H,1,3H2,2H3;/q-1;
InChIKeyUMLOIFPNXWJBEW-UHFFFAOYSA-N
MW161.54 g/mol
LogP1.38
Rot. Bonds2

About 1-butan-2-ylazirine;zinc

1-butan-2-ylazirine;zinc (PubChem CID 163589614) has the molecular formula C6H10NZn- and a molecular weight of 161.54 g/mol. Its IUPAC name is 1-butan-2-ylazirine;zinc.

Molecular Properties

Compound Name1-butan-2-ylazirine;zinc
PubChem CID163589614
Molecular FormulaC6H10NZn-
Molecular Weight161.54 g/mol
Exact Mass160.01
IUPAC Name1-butan-2-ylazirine;zinc
SMILES[CH2-]CC(C)N1C=C1.[Zn]
InChIInChI=1S/C6H10N.Zn/c1-3-6(2)7-4-5-7;/h4-6H,1,3H2,2H3;/q-1;
InChIKeyUMLOIFPNXWJBEW-UHFFFAOYSA-N
XLogP1.38
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.54
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(ethenyl)propan-2-amine
CID 134896310
N-ethenyl-N-methylpropan-1-amine
CID 17841516
N-ethenyl-N-methylpropan-2-amine
CID 17841523
N-ethenyl-N-methylbutan-2-amine
CID 17841538
N-ethenyl-N-methylcyclopropanamine
CID 20825929
Ethenyl-dimethyl-propan-2-ylazanium
CID 85679237
N,N-bis(ethenyl)propan-1-amine
CID 88561887
N-ethenyl-N-ethylpropan-2-amine
CID 91312401
1-Cyclopropyl-1-methylazirin-1-ium
CID 123178850
1-Ethenyl-2-methylaziridine
CID 123186186
1-(3-Methylbutan-2-yl)azirine
CID 123698458
Butan-2-yl-ethenyl-dimethylazanium
CID 123970475

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylazirine;zinc?
The IUPAC name of 1-butan-2-ylazirine;zinc (CID 163589614) is 1-butan-2-ylazirine;zinc.
What is the SMILES notation for 1-butan-2-ylazirine;zinc?
The canonical SMILES for 1-butan-2-ylazirine;zinc is [CH2-]CC(C)N1C=C1.[Zn].
What is the InChIKey of 1-butan-2-ylazirine;zinc?
The InChIKey is UMLOIFPNXWJBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N.Zn/c1-3-6(2)7-4-5-7;/h4-6H,1,3H2,2H3;/q-1;.
What are the key properties of 1-butan-2-ylazirine;zinc?
1-butan-2-ylazirine;zinc has a molecular weight of 161.54 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylazirine;zinc is sourced from PubChem (CID 163589614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).