5-[(1R)-1-aminobut-3-enyl]pyridine-2-carbonitrile

C10H11N3 — CID 131097026

IUPAC5-[(1R)-1-aminobut-3-enyl]pyridine-2-carbonitrile
SMILESC=CC[C@@H](N)c1ccc(C#N)nc1
InChIInChI=1S/C10H11N3/c1-2-3-10(12)8-4-5-9(6-11)13-7-8/h2,4-5,7,10H,1,3,12H2/t10-/m1/s1
InChIKeyCGBXYLMPWAGZHG-SNVBAGLBSA-N
MW173.22 g/mol
LogP1.53
Rot. Bonds3

About 5-[(1R)-1-aminobut-3-enyl]pyridine-2-carbonitrile

5-[(1R)-1-aminobut-3-enyl]pyridine-2-carbonitrile (PubChem CID 131097026) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 5-[(1R)-1-aminobut-3-enyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(1R)-1-aminobut-3-enyl]pyridine-2-carbonitrile
PubChem CID131097026
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name5-[(1R)-1-aminobut-3-enyl]pyridine-2-carbonitrile
SMILESC=CC[C@@H](N)c1ccc(C#N)nc1
InChIInChI=1S/C10H11N3/c1-2-3-10(12)8-4-5-9(6-11)13-7-8/h2,4-5,7,10H,1,3,12H2/t10-/m1/s1
InChIKeyCGBXYLMPWAGZHG-SNVBAGLBSA-N
XLogP1.53
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1-amino-3-hydroxypropyl)pyridine-2-carbonitrile
CID 55293167
(1R)-1-(6-chloro-3-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171198788
(1R)-1-(6-bromo-3-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171203312
(1R)-1-(6-methoxy-3-pyridinyl)but-3-en-1-amine
CID 171203601
ethane;5-propan-2-ylpyridine-2-carbonitrile
CID 145459140
3-[(1S)-1-aminobut-3-enyl]benzonitrile
CID 55292155
5-(3-methylbutan-2-yl)pyridine-2-carbonitrile
CID 118301745
1-pyrimidin-5-ylbut-3-en-1-amine
CID 55296439
4-[(1S)-1-aminobut-3-enyl]-N,N-dimethylaniline
CID 55270314
(1S)-1-quinolin-3-ylbut-3-en-1-amine
CID 55271973
(1R)-1-(4-chlorophenyl)but-3-en-1-amine;hydrochloride
CID 171212189
4-[(1S)-1-aminobut-3-enyl]phenol;hydrochloride
CID 171217719

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-aminobut-3-enyl]pyridine-2-carbonitrile?
The IUPAC name of 5-[(1R)-1-aminobut-3-enyl]pyridine-2-carbonitrile (CID 131097026) is 5-[(1R)-1-aminobut-3-enyl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(1R)-1-aminobut-3-enyl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(1R)-1-aminobut-3-enyl]pyridine-2-carbonitrile is C=CC[C@@H](N)c1ccc(C#N)nc1.
What is the InChIKey of 5-[(1R)-1-aminobut-3-enyl]pyridine-2-carbonitrile?
The InChIKey is CGBXYLMPWAGZHG-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H11N3/c1-2-3-10(12)8-4-5-9(6-11)13-7-8/h2,4-5,7,10H,1,3,12H2/t10-/m1/s1.
What are the key properties of 5-[(1R)-1-aminobut-3-enyl]pyridine-2-carbonitrile?
5-[(1R)-1-aminobut-3-enyl]pyridine-2-carbonitrile has a molecular weight of 173.22 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-aminobut-3-enyl]pyridine-2-carbonitrile is sourced from PubChem (CID 131097026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).