N-[(Z)-3-(2H-pyridin-1-yl)pent-2-en-2-yl]methanimine

C11H16N2 — CID 163367804

IUPACN-[(Z)-3-(2H-pyridin-1-yl)pent-2-en-2-yl]methanimine
SMILESC=N/C(C)=C(/CC)N1C=CC=CC1
InChIInChI=1S/C11H16N2/c1-4-11(10(2)12-3)13-8-6-5-7-9-13/h5-8H,3-4,9H2,1-2H3/b11-10-
InChIKeyGIOIHRAYAPJHHT-KHPPLWFESA-N
MW176.26 g/mol
LogP2.71
Rot. Bonds3

About N-[(Z)-3-(2H-pyridin-1-yl)pent-2-en-2-yl]methanimine

N-[(Z)-3-(2H-pyridin-1-yl)pent-2-en-2-yl]methanimine (PubChem CID 163367804) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-[(Z)-3-(2H-pyridin-1-yl)pent-2-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-3-(2H-pyridin-1-yl)pent-2-en-2-yl]methanimine
PubChem CID163367804
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-[(Z)-3-(2H-pyridin-1-yl)pent-2-en-2-yl]methanimine
SMILESC=N/C(C)=C(/CC)N1C=CC=CC1
InChIInChI=1S/C11H16N2/c1-4-11(10(2)12-3)13-8-6-5-7-9-13/h5-8H,3-4,9H2,1-2H3/b11-10-
InChIKeyGIOIHRAYAPJHHT-KHPPLWFESA-N
XLogP2.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.71
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-[(Z)-3-(2H-pyridin-1-yl)pent-2-en-2-yl]methanimine?
The IUPAC name of N-[(Z)-3-(2H-pyridin-1-yl)pent-2-en-2-yl]methanimine (CID 163367804) is N-[(Z)-3-(2H-pyridin-1-yl)pent-2-en-2-yl]methanimine.
What is the SMILES notation for N-[(Z)-3-(2H-pyridin-1-yl)pent-2-en-2-yl]methanimine?
The canonical SMILES for N-[(Z)-3-(2H-pyridin-1-yl)pent-2-en-2-yl]methanimine is C=N/C(C)=C(/CC)N1C=CC=CC1.
What is the InChIKey of N-[(Z)-3-(2H-pyridin-1-yl)pent-2-en-2-yl]methanimine?
The InChIKey is GIOIHRAYAPJHHT-KHPPLWFESA-N. The full InChI is InChI=1S/C11H16N2/c1-4-11(10(2)12-3)13-8-6-5-7-9-13/h5-8H,3-4,9H2,1-2H3/b11-10-.
What are the key properties of N-[(Z)-3-(2H-pyridin-1-yl)pent-2-en-2-yl]methanimine?
N-[(Z)-3-(2H-pyridin-1-yl)pent-2-en-2-yl]methanimine has a molecular weight of 176.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(2H-pyridin-1-yl)pent-2-en-2-yl]methanimine is sourced from PubChem (CID 163367804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).