2,3-dihydro-1H-pyridin-1-ium-4-imine

C5H9N2+ — CID 57146957

IUPAC2,3-dihydro-1H-pyridin-1-ium-4-imine
SMILES[H]/N=C1\C=C[NH2+]CC1
InChIInChI=1S/C5H8N2/c6-5-1-3-7-4-2-5/h1,3,6-7H,2,4H2/p+1/b6-5+
InChIKeyQIJBSHYRFXVXMO-AATRIKPKSA-O
MW97.14 g/mol
LogP-0.51
Rot. Bonds

About 2,3-dihydro-1H-pyridin-1-ium-4-imine

2,3-dihydro-1H-pyridin-1-ium-4-imine (PubChem CID 57146957) has the molecular formula C5H9N2+ and a molecular weight of 97.14 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyridin-1-ium-4-imine.

Molecular Properties

Compound Name2,3-dihydro-1H-pyridin-1-ium-4-imine
PubChem CID57146957
Molecular FormulaC5H9N2+
Molecular Weight97.14 g/mol
Exact Mass97.08
IUPAC Name2,3-dihydro-1H-pyridin-1-ium-4-imine
SMILES[H]/N=C1\C=C[NH2+]CC1
InChIInChI=1S/C5H8N2/c6-5-1-3-7-4-2-5/h1,3,6-7H,2,4H2/p+1/b6-5+
InChIKeyQIJBSHYRFXVXMO-AATRIKPKSA-O
XLogP-0.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.14
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-2,3-dihydropyridin-4-imine
CID 57023527
(Z)-3-ethenyliminopent-1-ene-1,5-diamine
CID 89018201
N-(3H-pyrrol-2-ylmethyl)but-3-en-1-amine
CID 130382602
3-Ethenyl-2-methyl-1,2-dihydropyrazine
CID 142290903
4-ethenylimino-N-methylhex-5-en-1-amine
CID 142295426
N-methyl-3-[(Z)-prop-1-enyl]iminopent-4-en-1-amine
CID 143115331
3-ethenylimino-N-ethylpent-4-en-1-amine;molecular hydrogen
CID 144767469
3-Ethenyliminopent-4-en-1-amine
CID 145523269
4-Methylidene-1,2-dihydropyridin-3-imine
CID 155474412
2-(2,3,4,5-Tetrahydropyridin-1-ium-6-yl)ethenamine
CID 164112714
2,3,5,6-Tetrahydropyrido[3,4-b]pyrazine
CID 176530411
N,1,2,3,5,6-hexadeuteriopyridin-4-imine
CID 131667567

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyridin-1-ium-4-imine?
The IUPAC name of 2,3-dihydro-1H-pyridin-1-ium-4-imine (CID 57146957) is 2,3-dihydro-1H-pyridin-1-ium-4-imine.
What is the SMILES notation for 2,3-dihydro-1H-pyridin-1-ium-4-imine?
The canonical SMILES for 2,3-dihydro-1H-pyridin-1-ium-4-imine is [H]/N=C1\C=C[NH2+]CC1.
What is the InChIKey of 2,3-dihydro-1H-pyridin-1-ium-4-imine?
The InChIKey is QIJBSHYRFXVXMO-AATRIKPKSA-O. The full InChI is InChI=1S/C5H8N2/c6-5-1-3-7-4-2-5/h1,3,6-7H,2,4H2/p+1/b6-5+.
What are the key properties of 2,3-dihydro-1H-pyridin-1-ium-4-imine?
2,3-dihydro-1H-pyridin-1-ium-4-imine has a molecular weight of 97.14 g/mol, XLogP of -0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyridin-1-ium-4-imine is sourced from PubChem (CID 57146957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).