N-[(Z)-1-(2H-pyrimidin-1-yl)prop-1-en-2-yl]methanimine

C8H11N3 — CID 126688059

IUPACN-[(Z)-1-(2H-pyrimidin-1-yl)prop-1-en-2-yl]methanimine
SMILESC=N/C(C)=C\N1C=CC=NC1
InChIInChI=1S/C8H11N3/c1-8(9-2)6-11-5-3-4-10-7-11/h3-6H,2,7H2,1H3/b8-6-
InChIKeyBZTOIDIYECAMCJ-VURMDHGXSA-N
MW149.20 g/mol
LogP1.41
Rot. Bonds2

About N-[(Z)-1-(2H-pyrimidin-1-yl)prop-1-en-2-yl]methanimine

N-[(Z)-1-(2H-pyrimidin-1-yl)prop-1-en-2-yl]methanimine (PubChem CID 126688059) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is N-[(Z)-1-(2H-pyrimidin-1-yl)prop-1-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-1-(2H-pyrimidin-1-yl)prop-1-en-2-yl]methanimine
PubChem CID126688059
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC NameN-[(Z)-1-(2H-pyrimidin-1-yl)prop-1-en-2-yl]methanimine
SMILESC=N/C(C)=C\N1C=CC=NC1
InChIInChI=1S/C8H11N3/c1-8(9-2)6-11-5-3-4-10-7-11/h3-6H,2,7H2,1H3/b8-6-
InChIKeyBZTOIDIYECAMCJ-VURMDHGXSA-N
XLogP1.41
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(Z)-1-(2H-pyrimidin-1-yl)prop-1-en-2-yl]methanimine?
The IUPAC name of N-[(Z)-1-(2H-pyrimidin-1-yl)prop-1-en-2-yl]methanimine (CID 126688059) is N-[(Z)-1-(2H-pyrimidin-1-yl)prop-1-en-2-yl]methanimine.
What is the SMILES notation for N-[(Z)-1-(2H-pyrimidin-1-yl)prop-1-en-2-yl]methanimine?
The canonical SMILES for N-[(Z)-1-(2H-pyrimidin-1-yl)prop-1-en-2-yl]methanimine is C=N/C(C)=C\N1C=CC=NC1.
What is the InChIKey of N-[(Z)-1-(2H-pyrimidin-1-yl)prop-1-en-2-yl]methanimine?
The InChIKey is BZTOIDIYECAMCJ-VURMDHGXSA-N. The full InChI is InChI=1S/C8H11N3/c1-8(9-2)6-11-5-3-4-10-7-11/h3-6H,2,7H2,1H3/b8-6-.
What are the key properties of N-[(Z)-1-(2H-pyrimidin-1-yl)prop-1-en-2-yl]methanimine?
N-[(Z)-1-(2H-pyrimidin-1-yl)prop-1-en-2-yl]methanimine has a molecular weight of 149.20 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2H-pyrimidin-1-yl)prop-1-en-2-yl]methanimine is sourced from PubChem (CID 126688059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).