(3S)-3-amino-3-(5-chlorofuran-2-yl)propanenitrile

C7H7ClN2O — CID 130956865

IUPAC(3S)-3-amino-3-(5-chlorofuran-2-yl)propanenitrile
SMILESN#CC[C@H](N)c1ccc(Cl)o1
InChIInChI=1S/C7H7ClN2O/c8-7-2-1-6(11-7)5(10)3-4-9/h1-2,5H,3,10H2/t5-/m0/s1
InChIKeyYGCPUYQITRPCTP-YFKPBYRVSA-N
MW170.60 g/mol
LogP1.85
Rot. Bonds2

About (3S)-3-amino-3-(5-chlorofuran-2-yl)propanenitrile

(3S)-3-amino-3-(5-chlorofuran-2-yl)propanenitrile (PubChem CID 130956865) has the molecular formula C7H7ClN2O and a molecular weight of 170.60 g/mol. Its IUPAC name is (3S)-3-amino-3-(5-chlorofuran-2-yl)propanenitrile.

Molecular Properties

Compound Name(3S)-3-amino-3-(5-chlorofuran-2-yl)propanenitrile
PubChem CID130956865
Molecular FormulaC7H7ClN2O
Molecular Weight170.60 g/mol
Exact Mass170.02
IUPAC Name(3S)-3-amino-3-(5-chlorofuran-2-yl)propanenitrile
SMILESN#CC[C@H](N)c1ccc(Cl)o1
InChIInChI=1S/C7H7ClN2O/c8-7-2-1-6(11-7)5(10)3-4-9/h1-2,5H,3,10H2/t5-/m0/s1
InChIKeyYGCPUYQITRPCTP-YFKPBYRVSA-N
XLogP1.85
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(5-methylfuran-2-yl)propanenitrile
CID 55292038
2-amino-2-(5-chlorofuran-2-yl)ethanol
CID 55295388
(1S)-1-(5-chlorofuran-2-yl)propan-1-amine
CID 131197963
1-(5-chlorofuran-2-yl)butan-1-amine
CID 55295199
(1S)-1-(5-chlorofuran-2-yl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313296
(3S)-3-amino-3-(4,5-dimethylfuran-2-yl)propanenitrile
CID 131082143
1-(5-chlorofuran-2-yl)-3-methylbut-3-en-1-amine
CID 106692476
(1S)-1-(5-chlorofuran-2-yl)-2-cyclopropylethanamine
CID 55272415
(3S)-3-amino-3-(2-chlorofuran-3-yl)propanenitrile
CID 130713756
1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethanamine
CID 106692144
(3S)-3-(5-chlorofuran-2-yl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306353
3-amino-3-(4-propan-2-ylphenyl)propanenitrile
CID 55271456

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(5-chlorofuran-2-yl)propanenitrile?
The IUPAC name of (3S)-3-amino-3-(5-chlorofuran-2-yl)propanenitrile (CID 130956865) is (3S)-3-amino-3-(5-chlorofuran-2-yl)propanenitrile.
What is the SMILES notation for (3S)-3-amino-3-(5-chlorofuran-2-yl)propanenitrile?
The canonical SMILES for (3S)-3-amino-3-(5-chlorofuran-2-yl)propanenitrile is N#CC[C@H](N)c1ccc(Cl)o1.
What is the InChIKey of (3S)-3-amino-3-(5-chlorofuran-2-yl)propanenitrile?
The InChIKey is YGCPUYQITRPCTP-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H7ClN2O/c8-7-2-1-6(11-7)5(10)3-4-9/h1-2,5H,3,10H2/t5-/m0/s1.
What are the key properties of (3S)-3-amino-3-(5-chlorofuran-2-yl)propanenitrile?
(3S)-3-amino-3-(5-chlorofuran-2-yl)propanenitrile has a molecular weight of 170.60 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(5-chlorofuran-2-yl)propanenitrile is sourced from PubChem (CID 130956865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).