N-[4-[(Z)-but-2-enyl]-1-methyl-2,3-dihydropyrrol-5-yl]methanimine

C10H16N2 — CID 143468997

IUPACN-[4-[(Z)-but-2-enyl]-1-methyl-2,3-dihydropyrrol-5-yl]methanimine
SMILESC=NC1=C(C/C=C\C)CCN1C
InChIInChI=1S/C10H16N2/c1-4-5-6-9-7-8-12(3)10(9)11-2/h4-5H,2,6-8H2,1,3H3/b5-4-
InChIKeyFEDPEQYDLRGKAA-PLNGDYQASA-N
MW164.25 g/mol
LogP2.20
Rot. Bonds3

About N-[4-[(Z)-but-2-enyl]-1-methyl-2,3-dihydropyrrol-5-yl]methanimine

N-[4-[(Z)-but-2-enyl]-1-methyl-2,3-dihydropyrrol-5-yl]methanimine (PubChem CID 143468997) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-[4-[(Z)-but-2-enyl]-1-methyl-2,3-dihydropyrrol-5-yl]methanimine.

Molecular Properties

Compound NameN-[4-[(Z)-but-2-enyl]-1-methyl-2,3-dihydropyrrol-5-yl]methanimine
PubChem CID143468997
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-[4-[(Z)-but-2-enyl]-1-methyl-2,3-dihydropyrrol-5-yl]methanimine
SMILESC=NC1=C(C/C=C\C)CCN1C
InChIInChI=1S/C10H16N2/c1-4-5-6-9-7-8-12(3)10(9)11-2/h4-5H,2,6-8H2,1,3H3/b5-4-
InChIKeyFEDPEQYDLRGKAA-PLNGDYQASA-N
XLogP2.20
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

ethane;N-(5-ethenyl-1-methyl-3,4-dihydro-2H-pyridin-6-yl)methanimine
CID 142619167
N-[1-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-5-yl]methanimine
CID 143402601
1-methyl-3,4-dihydro-2H-pyrrolo[2,3-b]azepine
CID 143469089
N-(1-methyl-4-prop-1-en-2-yl-2,3-dihydropyrrol-5-yl)methanimine
CID 170585730

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-but-2-enyl]-1-methyl-2,3-dihydropyrrol-5-yl]methanimine?
The IUPAC name of N-[4-[(Z)-but-2-enyl]-1-methyl-2,3-dihydropyrrol-5-yl]methanimine (CID 143468997) is N-[4-[(Z)-but-2-enyl]-1-methyl-2,3-dihydropyrrol-5-yl]methanimine.
What is the SMILES notation for N-[4-[(Z)-but-2-enyl]-1-methyl-2,3-dihydropyrrol-5-yl]methanimine?
The canonical SMILES for N-[4-[(Z)-but-2-enyl]-1-methyl-2,3-dihydropyrrol-5-yl]methanimine is C=NC1=C(C/C=C\C)CCN1C.
What is the InChIKey of N-[4-[(Z)-but-2-enyl]-1-methyl-2,3-dihydropyrrol-5-yl]methanimine?
The InChIKey is FEDPEQYDLRGKAA-PLNGDYQASA-N. The full InChI is InChI=1S/C10H16N2/c1-4-5-6-9-7-8-12(3)10(9)11-2/h4-5H,2,6-8H2,1,3H3/b5-4-.
What are the key properties of N-[4-[(Z)-but-2-enyl]-1-methyl-2,3-dihydropyrrol-5-yl]methanimine?
N-[4-[(Z)-but-2-enyl]-1-methyl-2,3-dihydropyrrol-5-yl]methanimine has a molecular weight of 164.25 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-but-2-enyl]-1-methyl-2,3-dihydropyrrol-5-yl]methanimine is sourced from PubChem (CID 143468997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).