3-[(1R)-1-aminoprop-2-enyl]furan-2-carbonitrile

C8H8N2O — CID 130665425

IUPAC3-[(1R)-1-aminoprop-2-enyl]furan-2-carbonitrile
SMILESC=C[C@@H](N)c1ccoc1C#N
InChIInChI=1S/C8H8N2O/c1-2-7(10)6-3-4-11-8(6)5-9/h2-4,7H,1,10H2/t7-/m1/s1
InChIKeyFCYWJIDHSULKPL-SSDOTTSWSA-N
MW148.16 g/mol
LogP1.34
Rot. Bonds2

About 3-[(1R)-1-aminoprop-2-enyl]furan-2-carbonitrile

3-[(1R)-1-aminoprop-2-enyl]furan-2-carbonitrile (PubChem CID 130665425) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 3-[(1R)-1-aminoprop-2-enyl]furan-2-carbonitrile.

Molecular Properties

Compound Name3-[(1R)-1-aminoprop-2-enyl]furan-2-carbonitrile
PubChem CID130665425
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name3-[(1R)-1-aminoprop-2-enyl]furan-2-carbonitrile
SMILESC=C[C@@H](N)c1ccoc1C#N
InChIInChI=1S/C8H8N2O/c1-2-7(10)6-3-4-11-8(6)5-9/h2-4,7H,1,10H2/t7-/m1/s1
InChIKeyFCYWJIDHSULKPL-SSDOTTSWSA-N
XLogP1.34
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.34
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

2-[(1S)-1-aminoprop-2-enyl]benzonitrile
CID 131090476
2-[(1S)-1-aminoprop-2-enyl]benzonitrile;hydrochloride
CID 171221589
3-(1-amino-2-methylpropyl)furan-2-carbonitrile
CID 130000147
1-(2-bromofuran-3-yl)prop-2-en-1-amine
CID 103846063
2-[2-(1-aminoprop-2-enyl)phenyl]acetonitrile
CID 55283390
3-[(1R)-1-aminoprop-2-enyl]-4-fluorobenzonitrile
CID 55273925
4-(1-aminoprop-2-enyl)-3-methylbenzonitrile
CID 130002637
2-[(1R)-1-aminoprop-2-enyl]-6-fluorobenzonitrile
CID 55274364
4-[(1S)-1-aminoprop-2-enyl]benzonitrile;hydrochloride
CID 171217684
4-[(1R)-1-aminoprop-2-enyl]benzonitrile;hydrochloride
CID 171198176
2-[(1R)-1-aminoprop-2-enyl]phenol
CID 55278919
(1S)-1-(furan-2-yl)prop-2-en-1-amine;hydrochloride
CID 171231702

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-aminoprop-2-enyl]furan-2-carbonitrile?
The IUPAC name of 3-[(1R)-1-aminoprop-2-enyl]furan-2-carbonitrile (CID 130665425) is 3-[(1R)-1-aminoprop-2-enyl]furan-2-carbonitrile.
What is the SMILES notation for 3-[(1R)-1-aminoprop-2-enyl]furan-2-carbonitrile?
The canonical SMILES for 3-[(1R)-1-aminoprop-2-enyl]furan-2-carbonitrile is C=C[C@@H](N)c1ccoc1C#N.
What is the InChIKey of 3-[(1R)-1-aminoprop-2-enyl]furan-2-carbonitrile?
The InChIKey is FCYWJIDHSULKPL-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H8N2O/c1-2-7(10)6-3-4-11-8(6)5-9/h2-4,7H,1,10H2/t7-/m1/s1.
What are the key properties of 3-[(1R)-1-aminoprop-2-enyl]furan-2-carbonitrile?
3-[(1R)-1-aminoprop-2-enyl]furan-2-carbonitrile has a molecular weight of 148.16 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-aminoprop-2-enyl]furan-2-carbonitrile is sourced from PubChem (CID 130665425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).