but-1-ene;N-prop-1-en-2-ylmethanimine

C8H15N — CID 145474741

IUPACbut-1-ene;N-prop-1-en-2-ylmethanimine
SMILESC=CCC.C=NC(=C)C
InChIInChI=1S/C4H7N.C4H8/c1-4(2)5-3;1-3-4-2/h1,3H2,2H3;3H,1,4H2,2H3
InChIKeyXRKDLUQJBRPGKU-UHFFFAOYSA-N
MW125.22 g/mol
LogP2.80
Rot. Bonds2

About but-1-ene;N-prop-1-en-2-ylmethanimine

but-1-ene;N-prop-1-en-2-ylmethanimine (PubChem CID 145474741) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is but-1-ene;N-prop-1-en-2-ylmethanimine.

Molecular Properties

Compound Namebut-1-ene;N-prop-1-en-2-ylmethanimine
PubChem CID145474741
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Namebut-1-ene;N-prop-1-en-2-ylmethanimine
SMILESC=CCC.C=NC(=C)C
InChIInChI=1S/C4H7N.C4H8/c1-4(2)5-3;1-3-4-2/h1,3H2,2H3;3H,1,4H2,2H3
InChIKeyXRKDLUQJBRPGKU-UHFFFAOYSA-N
XLogP2.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-but-1-en-2-ylmethanimine
CID 60089853
N-[(4Z)-hexa-1,4-dien-2-yl]methanimine
CID 88897198
N-hepta-3,5-dien-3-ylmethanimine
CID 123371851
N-[(3Z,5Z)-hepta-3,5-dien-3-yl]methanimine
CID 126735960
N-(3-methylhexa-1,5-dien-2-yl)methanimine
CID 129060332
N-[(5E)-4-methylhepta-2,5-dien-2-yl]methanimine
CID 130183555
N-[(Z)-but-2-en-2-yl]methanimine;ethene
CID 141829919
N-[(Z)-but-2-en-2-yl]methanimine;ethane;ethene
CID 142057672
N-[(2Z,4Z)-hepta-2,4-dien-2-yl]methanimine
CID 143474500
ethane;N-[(Z)-pent-2-en-3-yl]methanimine
CID 143529610
N-[(2Z,5Z)-octa-2,5-dien-2-yl]methanimine
CID 143798043
prop-1-ene;N-prop-1-en-2-ylmethanimine
CID 143854713

Frequently Asked Questions

What is the IUPAC name of but-1-ene;N-prop-1-en-2-ylmethanimine?
The IUPAC name of but-1-ene;N-prop-1-en-2-ylmethanimine (CID 145474741) is but-1-ene;N-prop-1-en-2-ylmethanimine.
What is the SMILES notation for but-1-ene;N-prop-1-en-2-ylmethanimine?
The canonical SMILES for but-1-ene;N-prop-1-en-2-ylmethanimine is C=CCC.C=NC(=C)C.
What is the InChIKey of but-1-ene;N-prop-1-en-2-ylmethanimine?
The InChIKey is XRKDLUQJBRPGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N.C4H8/c1-4(2)5-3;1-3-4-2/h1,3H2,2H3;3H,1,4H2,2H3.
What are the key properties of but-1-ene;N-prop-1-en-2-ylmethanimine?
but-1-ene;N-prop-1-en-2-ylmethanimine has a molecular weight of 125.22 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;N-prop-1-en-2-ylmethanimine is sourced from PubChem (CID 145474741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).