butane;1,2-dihydropyridine

C9H17N — CID 142960034

IUPACbutane;1,2-dihydropyridine
SMILESC1=CCNC=C1.CCCC
InChIInChI=1S/C5H7N.C4H10/c1-2-4-6-5-3-1;1-3-4-2/h1-4,6H,5H2;3-4H2,1-2H3
InChIKeyCXDLMXILXSKHOU-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.47
Rot. Bonds1

About butane;1,2-dihydropyridine

butane;1,2-dihydropyridine (PubChem CID 142960034) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is butane;1,2-dihydropyridine.

Molecular Properties

Compound Namebutane;1,2-dihydropyridine
PubChem CID142960034
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Namebutane;1,2-dihydropyridine
SMILESC1=CCNC=C1.CCCC
InChIInChI=1S/C5H7N.C4H10/c1-2-4-6-5-3-1;1-3-4-2/h1-4,6H,5H2;3-4H2,1-2H3
InChIKeyCXDLMXILXSKHOU-UHFFFAOYSA-N
XLogP2.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butane;1,2-dihydropyridine?
The IUPAC name of butane;1,2-dihydropyridine (CID 142960034) is butane;1,2-dihydropyridine.
What is the SMILES notation for butane;1,2-dihydropyridine?
The canonical SMILES for butane;1,2-dihydropyridine is C1=CCNC=C1.CCCC.
What is the InChIKey of butane;1,2-dihydropyridine?
The InChIKey is CXDLMXILXSKHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C4H10/c1-2-4-6-5-3-1;1-3-4-2/h1-4,6H,5H2;3-4H2,1-2H3.
What are the key properties of butane;1,2-dihydropyridine?
butane;1,2-dihydropyridine has a molecular weight of 139.24 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1,2-dihydropyridine is sourced from PubChem (CID 142960034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).