N-pent-2-en-3-ylmethanimine

C6H11N — CID 91032118

IUPACN-pent-2-en-3-ylmethanimine
SMILESC=NC(=CC)CC
InChIInChI=1S/C6H11N/c1-4-6(5-2)7-3/h4H,3,5H2,1-2H3
InChIKeyOAHFTIMZURXQNO-UHFFFAOYSA-N
MW97.16 g/mol
LogP2.00
Rot. Bonds2

About N-pent-2-en-3-ylmethanimine

N-pent-2-en-3-ylmethanimine (PubChem CID 91032118) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is N-pent-2-en-3-ylmethanimine.

Molecular Properties

Compound NameN-pent-2-en-3-ylmethanimine
PubChem CID91032118
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC NameN-pent-2-en-3-ylmethanimine
SMILESC=NC(=CC)CC
InChIInChI=1S/C6H11N/c1-4-6(5-2)7-3/h4H,3,5H2,1-2H3
InChIKeyOAHFTIMZURXQNO-UHFFFAOYSA-N
XLogP2.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 52.00
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

N-(1,1,1-trifluoropent-2-en-2-yl)methanimine
CID 91449965
N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]methanimine
CID 143342932
N-[(3Z)-5-fluorohexa-3,5-dien-3-yl]methanimine
CID 171630935
N-[(Z)-1-fluoropent-2-en-2-yl]methanimine
CID 143331293
N-but-2-en-2-ylmethanimine
CID 20732295
N-pent-2-en-3-ylethanimine
CID 20761973
N-pent-2-en-2-ylmethanimine
CID 57118992
[(Z)-4-(methanidylideneamino)pent-3-en-2-ylidene]tungsten
CID 58930958
N-but-1-en-2-ylmethanimine
CID 60089853
N-[(4Z)-hexa-1,4-dien-2-yl]methanimine
CID 88897198
N-[(Z)-pent-2-en-3-yl]ethanimine
CID 89115805
N-[(Z)-pent-2-en-2-yl]ethanimine
CID 89204366

Frequently Asked Questions

What is the IUPAC name of N-pent-2-en-3-ylmethanimine?
The IUPAC name of N-pent-2-en-3-ylmethanimine (CID 91032118) is N-pent-2-en-3-ylmethanimine.
What is the SMILES notation for N-pent-2-en-3-ylmethanimine?
The canonical SMILES for N-pent-2-en-3-ylmethanimine is C=NC(=CC)CC.
What is the InChIKey of N-pent-2-en-3-ylmethanimine?
The InChIKey is OAHFTIMZURXQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-4-6(5-2)7-3/h4H,3,5H2,1-2H3.
What are the key properties of N-pent-2-en-3-ylmethanimine?
N-pent-2-en-3-ylmethanimine has a molecular weight of 97.16 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-2-en-3-ylmethanimine is sourced from PubChem (CID 91032118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).