4-[(S)-amino(cyclopropyl)methyl]furan-2-carbonitrile

C9H10N2O — CID 130722285

IUPAC4-[(S)-amino(cyclopropyl)methyl]furan-2-carbonitrile
SMILESN#Cc1cc([C@@H](N)C2CC2)co1
InChIInChI=1S/C9H10N2O/c10-4-8-3-7(5-12-8)9(11)6-1-2-6/h3,5-6,9H,1-2,11H2/t9-/m0/s1
InChIKeyOZGUEOXBFSJWGG-VIFPVBQESA-N
MW162.19 g/mol
LogP1.56
Rot. Bonds2

About 4-[(S)-amino(cyclopropyl)methyl]furan-2-carbonitrile

4-[(S)-amino(cyclopropyl)methyl]furan-2-carbonitrile (PubChem CID 130722285) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 4-[(S)-amino(cyclopropyl)methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name4-[(S)-amino(cyclopropyl)methyl]furan-2-carbonitrile
PubChem CID130722285
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name4-[(S)-amino(cyclopropyl)methyl]furan-2-carbonitrile
SMILESN#Cc1cc([C@@H](N)C2CC2)co1
InChIInChI=1S/C9H10N2O/c10-4-8-3-7(5-12-8)9(11)6-1-2-6/h3,5-6,9H,1-2,11H2/t9-/m0/s1
InChIKeyOZGUEOXBFSJWGG-VIFPVBQESA-N
XLogP1.56
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(S)-amino(cyclopropyl)methyl]furan-2-carbonitrile?
The IUPAC name of 4-[(S)-amino(cyclopropyl)methyl]furan-2-carbonitrile (CID 130722285) is 4-[(S)-amino(cyclopropyl)methyl]furan-2-carbonitrile.
What is the SMILES notation for 4-[(S)-amino(cyclopropyl)methyl]furan-2-carbonitrile?
The canonical SMILES for 4-[(S)-amino(cyclopropyl)methyl]furan-2-carbonitrile is N#Cc1cc([C@@H](N)C2CC2)co1.
What is the InChIKey of 4-[(S)-amino(cyclopropyl)methyl]furan-2-carbonitrile?
The InChIKey is OZGUEOXBFSJWGG-VIFPVBQESA-N. The full InChI is InChI=1S/C9H10N2O/c10-4-8-3-7(5-12-8)9(11)6-1-2-6/h3,5-6,9H,1-2,11H2/t9-/m0/s1.
What are the key properties of 4-[(S)-amino(cyclopropyl)methyl]furan-2-carbonitrile?
4-[(S)-amino(cyclopropyl)methyl]furan-2-carbonitrile has a molecular weight of 162.19 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-amino(cyclopropyl)methyl]furan-2-carbonitrile is sourced from PubChem (CID 130722285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).