azane;but-2-ene

C4H11N — CID 158027647

IUPACazane;but-2-ene
SMILESCC=CC.N
InChIInChI=1S/C4H8.H3N/c1-3-4-2;/h3-4H,1-2H3;1H3
InChIKeyZGIKMRSXDUYCGP-UHFFFAOYSA-N
MW73.14 g/mol
LogP1.74
Rot. Bonds

About azane;but-2-ene

azane;but-2-ene (PubChem CID 158027647) has the molecular formula C4H11N and a molecular weight of 73.14 g/mol. Its IUPAC name is azane;but-2-ene.

Molecular Properties

Compound Nameazane;but-2-ene
PubChem CID158027647
Molecular FormulaC4H11N
Molecular Weight73.14 g/mol
Exact Mass73.09
IUPAC Nameazane;but-2-ene
SMILESCC=CC.N
InChIInChI=1S/C4H8.H3N/c1-3-4-2;/h3-4H,1-2H3;1H3
InChIKeyZGIKMRSXDUYCGP-UHFFFAOYSA-N
XLogP1.74
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.14
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-but-2-ene;ethane
CID 90897883
CID 161256128
CID 161256128
but-2-ene;hydrofluoride
CID 160556119
bis(but-2-ene);hydrate
CID 129188484
lithium;but-2-ene;hydride
CID 173104793
but-2-ene;bis(prop-1-ene)
CID 157334183
(Z)-but-2-ene;ethene;bis(prop-1-ene)
CID 160593626
(Z)-but-2-ene;ethane;bis(prop-1-ene)
CID 144848347
benzene;but-2-ene;ethane
CID 91395285
azane;prop-1-en-1-amine
CID 174584190
butane;but-2-ene;methane
CID 161391432
buta-1,3-diene;but-2-ene;methane
CID 161269069

Frequently Asked Questions

What is the IUPAC name of azane;but-2-ene?
The IUPAC name of azane;but-2-ene (CID 158027647) is azane;but-2-ene.
What is the SMILES notation for azane;but-2-ene?
The canonical SMILES for azane;but-2-ene is CC=CC.N.
What is the InChIKey of azane;but-2-ene?
The InChIKey is ZGIKMRSXDUYCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.H3N/c1-3-4-2;/h3-4H,1-2H3;1H3.
What are the key properties of azane;but-2-ene?
azane;but-2-ene has a molecular weight of 73.14 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;but-2-ene is sourced from PubChem (CID 158027647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).