(1S)-1-(3-ethenyl-2-pyridinyl)prop-2-en-1-amine

C10H12N2 — CID 74891761

IUPAC(1S)-1-(3-ethenyl-2-pyridinyl)prop-2-en-1-amine
SMILESC=Cc1cccnc1[C@@H](N)C=C
InChIInChI=1S/C10H12N2/c1-3-8-6-5-7-12-10(8)9(11)4-2/h3-7,9H,1-2,11H2/t9-/m0/s1
InChIKeyYQNWCLUJEXIYJR-VIFPVBQESA-N
MW160.22 g/mol
LogP1.91
Rot. Bonds3

About (1S)-1-(3-ethenyl-2-pyridinyl)prop-2-en-1-amine

(1S)-1-(3-ethenyl-2-pyridinyl)prop-2-en-1-amine (PubChem CID 74891761) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (1S)-1-(3-ethenyl-2-pyridinyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1S)-1-(3-ethenyl-2-pyridinyl)prop-2-en-1-amine
PubChem CID74891761
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name(1S)-1-(3-ethenyl-2-pyridinyl)prop-2-en-1-amine
SMILESC=Cc1cccnc1[C@@H](N)C=C
InChIInChI=1S/C10H12N2/c1-3-8-6-5-7-12-10(8)9(11)4-2/h3-7,9H,1-2,11H2/t9-/m0/s1
InChIKeyYQNWCLUJEXIYJR-VIFPVBQESA-N
XLogP1.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-ethenyl-2-pyridinyl)prop-2-en-1-amine?
The IUPAC name of (1S)-1-(3-ethenyl-2-pyridinyl)prop-2-en-1-amine (CID 74891761) is (1S)-1-(3-ethenyl-2-pyridinyl)prop-2-en-1-amine.
What is the SMILES notation for (1S)-1-(3-ethenyl-2-pyridinyl)prop-2-en-1-amine?
The canonical SMILES for (1S)-1-(3-ethenyl-2-pyridinyl)prop-2-en-1-amine is C=Cc1cccnc1[C@@H](N)C=C.
What is the InChIKey of (1S)-1-(3-ethenyl-2-pyridinyl)prop-2-en-1-amine?
The InChIKey is YQNWCLUJEXIYJR-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12N2/c1-3-8-6-5-7-12-10(8)9(11)4-2/h3-7,9H,1-2,11H2/t9-/m0/s1.
What are the key properties of (1S)-1-(3-ethenyl-2-pyridinyl)prop-2-en-1-amine?
(1S)-1-(3-ethenyl-2-pyridinyl)prop-2-en-1-amine has a molecular weight of 160.22 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-ethenyl-2-pyridinyl)prop-2-en-1-amine is sourced from PubChem (CID 74891761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).