N-[1-methyl-2-[(Z)-prop-1-enyl]pyrrol-3-yl]methanimine

C9H12N2 — CID 175632076

IUPACN-[1-methyl-2-[(Z)-prop-1-enyl]pyrrol-3-yl]methanimine
SMILESC=Nc1ccn(C)c1/C=C\C
InChIInChI=1S/C9H12N2/c1-4-5-9-8(10-2)6-7-11(9)3/h4-7H,2H2,1,3H3/b5-4-
InChIKeyKQNABGLUKKQOGS-PLNGDYQASA-N
MW148.21 g/mol
LogP2.39
Rot. Bonds2

About N-[1-methyl-2-[(Z)-prop-1-enyl]pyrrol-3-yl]methanimine

N-[1-methyl-2-[(Z)-prop-1-enyl]pyrrol-3-yl]methanimine (PubChem CID 175632076) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N-[1-methyl-2-[(Z)-prop-1-enyl]pyrrol-3-yl]methanimine.

Molecular Properties

Compound NameN-[1-methyl-2-[(Z)-prop-1-enyl]pyrrol-3-yl]methanimine
PubChem CID175632076
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC NameN-[1-methyl-2-[(Z)-prop-1-enyl]pyrrol-3-yl]methanimine
SMILESC=Nc1ccn(C)c1/C=C\C
InChIInChI=1S/C9H12N2/c1-4-5-9-8(10-2)6-7-11(9)3/h4-7H,2H2,1,3H3/b5-4-
InChIKeyKQNABGLUKKQOGS-PLNGDYQASA-N
XLogP2.39
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-[(Z)-prop-1-enyl]pyrrol-3-yl]methanimine?
The IUPAC name of N-[1-methyl-2-[(Z)-prop-1-enyl]pyrrol-3-yl]methanimine (CID 175632076) is N-[1-methyl-2-[(Z)-prop-1-enyl]pyrrol-3-yl]methanimine.
What is the SMILES notation for N-[1-methyl-2-[(Z)-prop-1-enyl]pyrrol-3-yl]methanimine?
The canonical SMILES for N-[1-methyl-2-[(Z)-prop-1-enyl]pyrrol-3-yl]methanimine is C=Nc1ccn(C)c1/C=C\C.
What is the InChIKey of N-[1-methyl-2-[(Z)-prop-1-enyl]pyrrol-3-yl]methanimine?
The InChIKey is KQNABGLUKKQOGS-PLNGDYQASA-N. The full InChI is InChI=1S/C9H12N2/c1-4-5-9-8(10-2)6-7-11(9)3/h4-7H,2H2,1,3H3/b5-4-.
What are the key properties of N-[1-methyl-2-[(Z)-prop-1-enyl]pyrrol-3-yl]methanimine?
N-[1-methyl-2-[(Z)-prop-1-enyl]pyrrol-3-yl]methanimine has a molecular weight of 148.21 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-[(Z)-prop-1-enyl]pyrrol-3-yl]methanimine is sourced from PubChem (CID 175632076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).