3-(methoxymethyl)cyclopent-2-en-1-amine

C7H13NO — CID 79576777

IUPAC3-(methoxymethyl)cyclopent-2-en-1-amine
SMILESCOCC1=CC(N)CC1
InChIInChI=1S/C7H13NO/c1-9-5-6-2-3-7(8)4-6/h4,7H,2-3,5,8H2,1H3
InChIKeySEQISFCPSCRIJM-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.68
Rot. Bonds2

About 3-(methoxymethyl)cyclopent-2-en-1-amine

3-(methoxymethyl)cyclopent-2-en-1-amine (PubChem CID 79576777) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-(methoxymethyl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name3-(methoxymethyl)cyclopent-2-en-1-amine
PubChem CID79576777
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3-(methoxymethyl)cyclopent-2-en-1-amine
SMILESCOCC1=CC(N)CC1
InChIInChI=1S/C7H13NO/c1-9-5-6-2-3-7(8)4-6/h4,7H,2-3,5,8H2,1H3
InChIKeySEQISFCPSCRIJM-UHFFFAOYSA-N
XLogP0.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.68
H-Bond Donors ≤ 51
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 3-(methoxymethyl)cyclopent-2-en-1-amine?
The IUPAC name of 3-(methoxymethyl)cyclopent-2-en-1-amine (CID 79576777) is 3-(methoxymethyl)cyclopent-2-en-1-amine.
What is the SMILES notation for 3-(methoxymethyl)cyclopent-2-en-1-amine?
The canonical SMILES for 3-(methoxymethyl)cyclopent-2-en-1-amine is COCC1=CC(N)CC1.
What is the InChIKey of 3-(methoxymethyl)cyclopent-2-en-1-amine?
The InChIKey is SEQISFCPSCRIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-9-5-6-2-3-7(8)4-6/h4,7H,2-3,5,8H2,1H3.
What are the key properties of 3-(methoxymethyl)cyclopent-2-en-1-amine?
3-(methoxymethyl)cyclopent-2-en-1-amine has a molecular weight of 127.19 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)cyclopent-2-en-1-amine is sourced from PubChem (CID 79576777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).