ethenamine;prop-1-en-2-ylbenzene

C11H15N — CID 172805831

IUPACethenamine;prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1.C=CN
InChIInChI=1S/C9H10.C2H5N/c1-8(2)9-6-4-3-5-7-9;1-2-3/h3-7H,1H2,2H3;2H,1,3H2
InChIKeyRMOCDZAUKUCFQP-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.81
Rot. Bonds1

About ethenamine;prop-1-en-2-ylbenzene

ethenamine;prop-1-en-2-ylbenzene (PubChem CID 172805831) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is ethenamine;prop-1-en-2-ylbenzene.

Molecular Properties

Compound Nameethenamine;prop-1-en-2-ylbenzene
PubChem CID172805831
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Nameethenamine;prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1.C=CN
InChIInChI=1S/C9H10.C2H5N/c1-8(2)9-6-4-3-5-7-9;1-2-3/h3-7H,1H2,2H3;2H,1,3H2
InChIKeyRMOCDZAUKUCFQP-UHFFFAOYSA-N
XLogP2.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethenamine;prop-1-en-2-ylbenzene?
The IUPAC name of ethenamine;prop-1-en-2-ylbenzene (CID 172805831) is ethenamine;prop-1-en-2-ylbenzene.
What is the SMILES notation for ethenamine;prop-1-en-2-ylbenzene?
The canonical SMILES for ethenamine;prop-1-en-2-ylbenzene is C=C(C)c1ccccc1.C=CN.
What is the InChIKey of ethenamine;prop-1-en-2-ylbenzene?
The InChIKey is RMOCDZAUKUCFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C2H5N/c1-8(2)9-6-4-3-5-7-9;1-2-3/h3-7H,1H2,2H3;2H,1,3H2.
What are the key properties of ethenamine;prop-1-en-2-ylbenzene?
ethenamine;prop-1-en-2-ylbenzene has a molecular weight of 161.25 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenamine;prop-1-en-2-ylbenzene is sourced from PubChem (CID 172805831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).