2-[1-(aminomethyl)cyclopent-3-en-1-yl]phenol

C12H15NO — CID 115063001

IUPAC2-[1-(aminomethyl)cyclopent-3-en-1-yl]phenol
SMILESNCC1(c2ccccc2O)CC=CC1
InChIInChI=1S/C12H15NO/c13-9-12(7-3-4-8-12)10-5-1-2-6-11(10)14/h1-6,14H,7-9,13H2
InChIKeyHDDHDYBYACXTLX-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.94
Rot. Bonds2

About 2-[1-(aminomethyl)cyclopent-3-en-1-yl]phenol

2-[1-(aminomethyl)cyclopent-3-en-1-yl]phenol (PubChem CID 115063001) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopent-3-en-1-yl]phenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopent-3-en-1-yl]phenol
PubChem CID115063001
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-[1-(aminomethyl)cyclopent-3-en-1-yl]phenol
SMILESNCC1(c2ccccc2O)CC=CC1
InChIInChI=1S/C12H15NO/c13-9-12(7-3-4-8-12)10-5-1-2-6-11(10)14/h1-6,14H,7-9,13H2
InChIKeyHDDHDYBYACXTLX-UHFFFAOYSA-N
XLogP1.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.94
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

2-[1-(aminomethyl)-4,4-difluorocyclohexyl]phenol
CID 115044146
2-[1-(sulfanylmethyl)cyclopropyl]phenol
CID 115015755
2-[1-(aminomethyl)cyclopropyl]aniline
CID 82275316
[1-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methanamine
CID 65353243
2-[1-(fluoromethyl)cyclohexyl]phenol
CID 84722739
[1-(2-chlorophenyl)cyclopropyl]methanamine;hydrochloride
CID 46736468
2-[2-(aminomethyl)pyrrolidin-2-yl]phenol
CID 115059279
[1-(2-iodophenyl)cyclopentyl]methanamine
CID 70594144
N-[2-[1-(aminomethyl)cyclopropyl]-6-hydroxyphenyl]acetamide
CID 117314403
2-[1-(aminomethyl)cyclopentyl]-5-chlorophenol
CID 131279076
2-[1-(aminomethyl)cyclobutyl]-5-methylphenol
CID 82604285
2-[1-(isocyanomethyl)cyclopentyl]phenol
CID 105453650

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopent-3-en-1-yl]phenol?
The IUPAC name of 2-[1-(aminomethyl)cyclopent-3-en-1-yl]phenol (CID 115063001) is 2-[1-(aminomethyl)cyclopent-3-en-1-yl]phenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopent-3-en-1-yl]phenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclopent-3-en-1-yl]phenol is NCC1(c2ccccc2O)CC=CC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclopent-3-en-1-yl]phenol?
The InChIKey is HDDHDYBYACXTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c13-9-12(7-3-4-8-12)10-5-1-2-6-11(10)14/h1-6,14H,7-9,13H2.
What are the key properties of 2-[1-(aminomethyl)cyclopent-3-en-1-yl]phenol?
2-[1-(aminomethyl)cyclopent-3-en-1-yl]phenol has a molecular weight of 189.26 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclopent-3-en-1-yl]phenol is sourced from PubChem (CID 115063001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).