3-(1H-pyridin-2-ylidene)propan-1-imine

C8H10N2 — CID 87877348

IUPAC3-(1H-pyridin-2-ylidene)propan-1-imine
SMILES[H]/N=C/CC=C1C=CC=CN1
InChIInChI=1S/C8H10N2/c9-6-3-5-8-4-1-2-7-10-8/h1-2,4-7,9-10H,3H2/b8-5?,9-6+
InChIKeyXGJRGCPNIVLQFF-QTQRZSEBSA-N
MW134.18 g/mol
LogP1.58
Rot. Bonds2

About 3-(1H-pyridin-2-ylidene)propan-1-imine

3-(1H-pyridin-2-ylidene)propan-1-imine (PubChem CID 87877348) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 3-(1H-pyridin-2-ylidene)propan-1-imine.

Molecular Properties

Compound Name3-(1H-pyridin-2-ylidene)propan-1-imine
PubChem CID87877348
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name3-(1H-pyridin-2-ylidene)propan-1-imine
SMILES[H]/N=C/CC=C1C=CC=CN1
InChIInChI=1S/C8H10N2/c9-6-3-5-8-4-1-2-7-10-8/h1-2,4-7,9-10H,3H2/b8-5?,9-6+
InChIKeyXGJRGCPNIVLQFF-QTQRZSEBSA-N
XLogP1.58
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.58
H-Bond Donors ≤ 52
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 3-(1H-pyridin-2-ylidene)propan-1-imine?
The IUPAC name of 3-(1H-pyridin-2-ylidene)propan-1-imine (CID 87877348) is 3-(1H-pyridin-2-ylidene)propan-1-imine.
What is the SMILES notation for 3-(1H-pyridin-2-ylidene)propan-1-imine?
The canonical SMILES for 3-(1H-pyridin-2-ylidene)propan-1-imine is [H]/N=C/CC=C1C=CC=CN1.
What is the InChIKey of 3-(1H-pyridin-2-ylidene)propan-1-imine?
The InChIKey is XGJRGCPNIVLQFF-QTQRZSEBSA-N. The full InChI is InChI=1S/C8H10N2/c9-6-3-5-8-4-1-2-7-10-8/h1-2,4-7,9-10H,3H2/b8-5?,9-6+.
What are the key properties of 3-(1H-pyridin-2-ylidene)propan-1-imine?
3-(1H-pyridin-2-ylidene)propan-1-imine has a molecular weight of 134.18 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyridin-2-ylidene)propan-1-imine is sourced from PubChem (CID 87877348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).