N-[(E)-prop-1-enyl]methanimine

C4H7N — CID 18740882

IUPACN-[(E)-prop-1-enyl]methanimine
SMILESC=N/C=C/C
InChIInChI=1S/C4H7N/c1-3-4-5-2/h3-4H,2H2,1H3/b4-3+
InChIKeyRROLWTZLGGAXGR-ONEGZZNKSA-N
MW69.11 g/mol
LogP1.22
Rot. Bonds1

About N-[(E)-prop-1-enyl]methanimine

N-[(E)-prop-1-enyl]methanimine (PubChem CID 18740882) has the molecular formula C4H7N and a molecular weight of 69.11 g/mol. Its IUPAC name is N-[(E)-prop-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(E)-prop-1-enyl]methanimine
PubChem CID18740882
Molecular FormulaC4H7N
Molecular Weight69.11 g/mol
Exact Mass69.06
IUPAC NameN-[(E)-prop-1-enyl]methanimine
SMILESC=N/C=C/C
InChIInChI=1S/C4H7N/c1-3-4-5-2/h3-4H,2H2,1H3/b4-3+
InChIKeyRROLWTZLGGAXGR-ONEGZZNKSA-N
XLogP1.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50069.11
LogP ≤ 51.22
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

(1E)-1-isocyanoprop-1-ene
CID 643195
Allylsenfol
CID 13011488
N-prop-1-enylmethanimine
CID 20770478
1-Isothiocyanatoprop-1-ene
CID 54292046
(3z)-2-Azahexa-1,3,5-triene
CID 58734606
1-Isocyanoprop-1-ene
CID 71331230
2-Azahexa-1,3,5-triene
CID 72405812
(3e,5z)-2-Azahexa-1,3,5-triene
CID 129751294
N-(3-fluorobuta-1,3-dienyl)methanimine
CID 123846131
N-[(1Z)-3-fluorobuta-1,3-dienyl]methanimine
CID 144108219
N-[(1Z,3E)-4-fluorobuta-1,3-dienyl]methanimine
CID 147832810
(Z)-1-isocyanoprop-1-ene
CID 21627790

Frequently Asked Questions

What is the IUPAC name of N-[(E)-prop-1-enyl]methanimine?
The IUPAC name of N-[(E)-prop-1-enyl]methanimine (CID 18740882) is N-[(E)-prop-1-enyl]methanimine.
What is the SMILES notation for N-[(E)-prop-1-enyl]methanimine?
The canonical SMILES for N-[(E)-prop-1-enyl]methanimine is C=N/C=C/C.
What is the InChIKey of N-[(E)-prop-1-enyl]methanimine?
The InChIKey is RROLWTZLGGAXGR-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H7N/c1-3-4-5-2/h3-4H,2H2,1H3/b4-3+.
What are the key properties of N-[(E)-prop-1-enyl]methanimine?
N-[(E)-prop-1-enyl]methanimine has a molecular weight of 69.11 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-prop-1-enyl]methanimine is sourced from PubChem (CID 18740882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).