3-[(R)-amino(cyclopropyl)methyl]-4-hydroxybenzonitrile

C11H12N2O — CID 55263376

IUPAC3-[(R)-amino(cyclopropyl)methyl]-4-hydroxybenzonitrile
SMILESN#Cc1ccc(O)c([C@H](N)C2CC2)c1
InChIInChI=1S/C11H12N2O/c12-6-7-1-4-10(14)9(5-7)11(13)8-2-3-8/h1,4-5,8,11,14H,2-3,13H2/t11-/m1/s1
InChIKeyFXESWEYUPAKMLU-LLVKDONJSA-N
MW188.23 g/mol
LogP1.67
Rot. Bonds2

About 3-[(R)-amino(cyclopropyl)methyl]-4-hydroxybenzonitrile

3-[(R)-amino(cyclopropyl)methyl]-4-hydroxybenzonitrile (PubChem CID 55263376) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-[(R)-amino(cyclopropyl)methyl]-4-hydroxybenzonitrile.

Molecular Properties

Compound Name3-[(R)-amino(cyclopropyl)methyl]-4-hydroxybenzonitrile
PubChem CID55263376
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-[(R)-amino(cyclopropyl)methyl]-4-hydroxybenzonitrile
SMILESN#Cc1ccc(O)c([C@H](N)C2CC2)c1
InChIInChI=1S/C11H12N2O/c12-6-7-1-4-10(14)9(5-7)11(13)8-2-3-8/h1,4-5,8,11,14H,2-3,13H2/t11-/m1/s1
InChIKeyFXESWEYUPAKMLU-LLVKDONJSA-N
XLogP1.67
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-[(1R)-1-aminoethyl]-4-hydroxybenzonitrile
CID 121233508
3-[(R)-amino(cyclopropyl)methyl]-5-bromo-4-hydroxybenzonitrile
CID 131382433
3-[(S)-amino(cyclopropyl)methyl]-5-bromo-4-hydroxybenzonitrile
CID 131336404
2-[(R)-amino(cyclopropyl)methyl]-4-iodophenol
CID 131218158
3-[(1S)-1-amino-2-hydroxyethyl]-4-hydroxybenzonitrile
CID 55262887
4-[amino(cyclopropyl)methyl]benzonitrile
CID 55282712
3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-4-hydroxybenzonitrile
CID 171298533
3-[(S)-cyclobutyl(piperazin-1-yl)methyl]-4-hydroxybenzonitrile
CID 171298531
3-[(1S)-1,3-diaminopropyl]-4-hydroxybenzonitrile;hydrochloride
CID 171254106
3-[(S)-amino(cyclopropyl)methyl]-4-hydroxy-5-methoxybenzonitrile;hydrochloride
CID 171254966
3-[(S)-amino(cyclopentyl)methyl]-5-fluoro-4-hydroxybenzonitrile
CID 171254416
2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride
CID 171200964

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-amino(cyclopropyl)methyl]-4-hydroxybenzonitrile?
The IUPAC name of 3-[(R)-amino(cyclopropyl)methyl]-4-hydroxybenzonitrile (CID 55263376) is 3-[(R)-amino(cyclopropyl)methyl]-4-hydroxybenzonitrile.
What is the SMILES notation for 3-[(R)-amino(cyclopropyl)methyl]-4-hydroxybenzonitrile?
The canonical SMILES for 3-[(R)-amino(cyclopropyl)methyl]-4-hydroxybenzonitrile is N#Cc1ccc(O)c([C@H](N)C2CC2)c1.
What is the InChIKey of 3-[(R)-amino(cyclopropyl)methyl]-4-hydroxybenzonitrile?
The InChIKey is FXESWEYUPAKMLU-LLVKDONJSA-N. The full InChI is InChI=1S/C11H12N2O/c12-6-7-1-4-10(14)9(5-7)11(13)8-2-3-8/h1,4-5,8,11,14H,2-3,13H2/t11-/m1/s1.
What are the key properties of 3-[(R)-amino(cyclopropyl)methyl]-4-hydroxybenzonitrile?
3-[(R)-amino(cyclopropyl)methyl]-4-hydroxybenzonitrile has a molecular weight of 188.23 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-amino(cyclopropyl)methyl]-4-hydroxybenzonitrile is sourced from PubChem (CID 55263376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).