[1-(aminomethyl)cyclopent-3-en-1-yl]methanol

C7H13NO — CID 65353551

IUPAC[1-(aminomethyl)cyclopent-3-en-1-yl]methanol
SMILESNCC1(CO)CC=CC1
InChIInChI=1S/C7H13NO/c8-5-7(6-9)3-1-2-4-7/h1-2,9H,3-6,8H2
InChIKeyPFZLMJOZJBIMEK-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.27
Rot. Bonds2

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

[1-(aminomethyl)cyclopent-3-en-1-yl]methanol (PubChem CID 65353551) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopent-3-en-1-yl]methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopent-3-en-1-yl]methanol
PubChem CID65353551
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name[1-(aminomethyl)cyclopent-3-en-1-yl]methanol
SMILESNCC1(CO)CC=CC1
InChIInChI=1S/C7H13NO/c8-5-7(6-9)3-1-2-4-7/h1-2,9H,3-6,8H2
InChIKeyPFZLMJOZJBIMEK-UHFFFAOYSA-N
XLogP0.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopent-3-en-1-yl]methanol?
The IUPAC name of [1-(aminomethyl)cyclopent-3-en-1-yl]methanol (CID 65353551) is [1-(aminomethyl)cyclopent-3-en-1-yl]methanol.
What is the SMILES notation for [1-(aminomethyl)cyclopent-3-en-1-yl]methanol?
The canonical SMILES for [1-(aminomethyl)cyclopent-3-en-1-yl]methanol is NCC1(CO)CC=CC1.
What is the InChIKey of [1-(aminomethyl)cyclopent-3-en-1-yl]methanol?
The InChIKey is PFZLMJOZJBIMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c8-5-7(6-9)3-1-2-4-7/h1-2,9H,3-6,8H2.
What are the key properties of [1-(aminomethyl)cyclopent-3-en-1-yl]methanol?
[1-(aminomethyl)cyclopent-3-en-1-yl]methanol has a molecular weight of 127.19 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopent-3-en-1-yl]methanol is sourced from PubChem (CID 65353551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).