4-(1-aminocyclopent-3-en-1-yl)phenol

C11H13NO — CID 115063014

IUPAC4-(1-aminocyclopent-3-en-1-yl)phenol
SMILESNC1(c2ccc(O)cc2)CC=CC1
InChIInChI=1S/C11H13NO/c12-11(7-1-2-8-11)9-3-5-10(13)6-4-9/h1-6,13H,7-8,12H2
InChIKeyAFGXPJOOPLPETC-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.90
Rot. Bonds1

About 4-(1-aminocyclopent-3-en-1-yl)phenol

4-(1-aminocyclopent-3-en-1-yl)phenol (PubChem CID 115063014) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-(1-aminocyclopent-3-en-1-yl)phenol.

Molecular Properties

Compound Name4-(1-aminocyclopent-3-en-1-yl)phenol
PubChem CID115063014
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name4-(1-aminocyclopent-3-en-1-yl)phenol
SMILESNC1(c2ccc(O)cc2)CC=CC1
InChIInChI=1S/C11H13NO/c12-11(7-1-2-8-11)9-3-5-10(13)6-4-9/h1-6,13H,7-8,12H2
InChIKeyAFGXPJOOPLPETC-UHFFFAOYSA-N
XLogP1.90
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1-amino-3,3-dimethylcyclobutyl)phenol
CID 115018738
4-(1-amino-3-fluorocyclobutyl)phenol
CID 105439372
1-(4-propan-2-ylphenyl)cyclopent-3-en-1-amine
CID 65353110
1-(4-ethoxyphenyl)cyclopent-3-en-1-amine
CID 65353108
4-[1-(methylaminomethyl)cyclopent-3-en-1-yl]phenol
CID 143506167
(1S,2R,3S,4R)-4-amino-1-(4-hydroxyphenyl)cyclopentane-1,2,3-triol
CID 175286689
ethane;4-[1-(4-hydroxyphenyl)cyclohexa-2,4-dien-1-yl]phenol
CID 159421128
4-[(2R)-2-amino-1-methylcyclopropyl]phenol
CID 105432218
4-(1-amino-2-phenylcyclopropyl)phenol
CID 84689950
4-[1-(4-hydroxyphenyl)cyclotridecyl]phenol
CID 59289752
4-[1,2,2-tris(4-hydroxyphenyl)cyclododecyl]phenol
CID 174963277
1-[4-(1-methylcyclopropyl)phenyl]cyclopropan-1-amine
CID 118201166

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclopent-3-en-1-yl)phenol?
The IUPAC name of 4-(1-aminocyclopent-3-en-1-yl)phenol (CID 115063014) is 4-(1-aminocyclopent-3-en-1-yl)phenol.
What is the SMILES notation for 4-(1-aminocyclopent-3-en-1-yl)phenol?
The canonical SMILES for 4-(1-aminocyclopent-3-en-1-yl)phenol is NC1(c2ccc(O)cc2)CC=CC1.
What is the InChIKey of 4-(1-aminocyclopent-3-en-1-yl)phenol?
The InChIKey is AFGXPJOOPLPETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c12-11(7-1-2-8-11)9-3-5-10(13)6-4-9/h1-6,13H,7-8,12H2.
What are the key properties of 4-(1-aminocyclopent-3-en-1-yl)phenol?
4-(1-aminocyclopent-3-en-1-yl)phenol has a molecular weight of 175.23 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclopent-3-en-1-yl)phenol is sourced from PubChem (CID 115063014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).