N-buta-2,3-dien-2-ylmethanimine

C5H7N — CID 123979076

IUPACN-buta-2,3-dien-2-ylmethanimine
SMILESC=C=C(C)N=C
InChIInChI=1S/C5H7N/c1-4-5(2)6-3/h1,3H2,2H3
InChIKeyAMKOBUZCSVDVMR-UHFFFAOYSA-N
MW81.12 g/mol
LogP1.38
Rot. Bonds1

About N-buta-2,3-dien-2-ylmethanimine

N-buta-2,3-dien-2-ylmethanimine (PubChem CID 123979076) has the molecular formula C5H7N and a molecular weight of 81.12 g/mol. Its IUPAC name is N-buta-2,3-dien-2-ylmethanimine.

Molecular Properties

Compound NameN-buta-2,3-dien-2-ylmethanimine
PubChem CID123979076
Molecular FormulaC5H7N
Molecular Weight81.12 g/mol
Exact Mass81.06
IUPAC NameN-buta-2,3-dien-2-ylmethanimine
SMILESC=C=C(C)N=C
InChIInChI=1S/C5H7N/c1-4-5(2)6-3/h1,3H2,2H3
InChIKeyAMKOBUZCSVDVMR-UHFFFAOYSA-N
XLogP1.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.12
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

fluoroethane;3-methylbuta-1,2-diene
CID 143722079
ethane;N-methylmethanimine;N-prop-1-en-2-ylmethanimine
CID 143372757
propa-1,2-diene;propan-2-one
CID 159669386
N'-(methylamino)-N-(methylideneamino)ethanimidamide
CID 91523915
N'-(methylamino)-N-(methylideneamino)ethanimidamide
CID 126725146
2-methylbuta-2,3-dien-1-ol
CID 12502940
N-[(E)-but-2-en-2-yl]methanimine;ethane
CID 145473397
3-[3-(methylideneamino)buta-1,3-dien-2-ylimino]but-1-en-2-amine
CID 89214019
1-fluoro-1-iodopropa-1,2-diene
CID 174509276
butane-1,4-diol;3-methylbuta-1,2-diene
CID 174287039
3-methylhexa-1,2-dien-4-yne
CID 91384433
N-[1,2,2-tris(methylideneamino)ethenyl]methanimine
CID 139820201

Frequently Asked Questions

What is the IUPAC name of N-buta-2,3-dien-2-ylmethanimine?
The IUPAC name of N-buta-2,3-dien-2-ylmethanimine (CID 123979076) is N-buta-2,3-dien-2-ylmethanimine.
What is the SMILES notation for N-buta-2,3-dien-2-ylmethanimine?
The canonical SMILES for N-buta-2,3-dien-2-ylmethanimine is C=C=C(C)N=C.
What is the InChIKey of N-buta-2,3-dien-2-ylmethanimine?
The InChIKey is AMKOBUZCSVDVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N/c1-4-5(2)6-3/h1,3H2,2H3.
What are the key properties of N-buta-2,3-dien-2-ylmethanimine?
N-buta-2,3-dien-2-ylmethanimine has a molecular weight of 81.12 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-buta-2,3-dien-2-ylmethanimine is sourced from PubChem (CID 123979076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).