N-[1-iodo-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-4-yl]methanimine

C9H13IN2 — CID 126687783

IUPACN-[1-iodo-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-4-yl]methanimine
SMILESC=NC1=C(/C=C\C)CN(I)CC1
InChIInChI=1S/C9H13IN2/c1-3-4-8-7-12(10)6-5-9(8)11-2/h3-4H,2,5-7H2,1H3/b4-3-
InChIKeyCZOCJUITKZWPTF-ARJAWSKDSA-N
MW276.12 g/mol
LogP2.57
Rot. Bonds2

About N-[1-iodo-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-4-yl]methanimine

N-[1-iodo-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-4-yl]methanimine (PubChem CID 126687783) has the molecular formula C9H13IN2 and a molecular weight of 276.12 g/mol. Its IUPAC name is N-[1-iodo-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-4-yl]methanimine.

Molecular Properties

Compound NameN-[1-iodo-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-4-yl]methanimine
PubChem CID126687783
Molecular FormulaC9H13IN2
Molecular Weight276.12 g/mol
Exact Mass276.01
IUPAC NameN-[1-iodo-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-4-yl]methanimine
SMILESC=NC1=C(/C=C\C)CN(I)CC1
InChIInChI=1S/C9H13IN2/c1-3-4-8-7-12(10)6-5-9(8)11-2/h3-4H,2,5-7H2,1H3/b4-3-
InChIKeyCZOCJUITKZWPTF-ARJAWSKDSA-N
XLogP2.57
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-iodo-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-4-yl]methanimine?
The IUPAC name of N-[1-iodo-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-4-yl]methanimine (CID 126687783) is N-[1-iodo-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-4-yl]methanimine.
What is the SMILES notation for N-[1-iodo-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-4-yl]methanimine?
The canonical SMILES for N-[1-iodo-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-4-yl]methanimine is C=NC1=C(/C=C\C)CN(I)CC1.
What is the InChIKey of N-[1-iodo-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-4-yl]methanimine?
The InChIKey is CZOCJUITKZWPTF-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H13IN2/c1-3-4-8-7-12(10)6-5-9(8)11-2/h3-4H,2,5-7H2,1H3/b4-3-.
What are the key properties of N-[1-iodo-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-4-yl]methanimine?
N-[1-iodo-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-4-yl]methanimine has a molecular weight of 276.12 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-iodo-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-4-yl]methanimine is sourced from PubChem (CID 126687783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).