(1R)-1-(5-chloro-3-pyridinyl)but-3-en-1-amine

C9H11ClN2 — CID 55292253

IUPAC(1R)-1-(5-chloro-3-pyridinyl)but-3-en-1-amine
SMILESC=CC[C@@H](N)c1cncc(Cl)c1
InChIInChI=1S/C9H11ClN2/c1-2-3-9(11)7-4-8(10)6-12-5-7/h2,4-6,9H,1,3,11H2/t9-/m1/s1
InChIKeyRVNCHSYBGREDHR-SECBINFHSA-N
MW182.65 g/mol
LogP2.31
Rot. Bonds3

About (1R)-1-(5-chloro-3-pyridinyl)but-3-en-1-amine

(1R)-1-(5-chloro-3-pyridinyl)but-3-en-1-amine (PubChem CID 55292253) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is (1R)-1-(5-chloro-3-pyridinyl)but-3-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(5-chloro-3-pyridinyl)but-3-en-1-amine
PubChem CID55292253
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name(1R)-1-(5-chloro-3-pyridinyl)but-3-en-1-amine
SMILESC=CC[C@@H](N)c1cncc(Cl)c1
InChIInChI=1S/C9H11ClN2/c1-2-3-9(11)7-4-8(10)6-12-5-7/h2,4-6,9H,1,3,11H2/t9-/m1/s1
InChIKeyRVNCHSYBGREDHR-SECBINFHSA-N
XLogP2.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.31
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 (1R)-1-(5-chloro-3-pyridinyl)but-3-en-1-amine?
The IUPAC name of (1R)-1-(5-chloro-3-pyridinyl)but-3-en-1-amine (CID 55292253) is (1R)-1-(5-chloro-3-pyridinyl)but-3-en-1-amine.
What is the SMILES notation for (1R)-1-(5-chloro-3-pyridinyl)but-3-en-1-amine?
The canonical SMILES for (1R)-1-(5-chloro-3-pyridinyl)but-3-en-1-amine is C=CC[C@@H](N)c1cncc(Cl)c1.
What is the InChIKey of (1R)-1-(5-chloro-3-pyridinyl)but-3-en-1-amine?
The InChIKey is RVNCHSYBGREDHR-SECBINFHSA-N. The full InChI is InChI=1S/C9H11ClN2/c1-2-3-9(11)7-4-8(10)6-12-5-7/h2,4-6,9H,1,3,11H2/t9-/m1/s1.
What are the key properties of (1R)-1-(5-chloro-3-pyridinyl)but-3-en-1-amine?
(1R)-1-(5-chloro-3-pyridinyl)but-3-en-1-amine has a molecular weight of 182.65 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-chloro-3-pyridinyl)but-3-en-1-amine is sourced from PubChem (CID 55292253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).