2-methoxycyclobuten-1-amine

C5H9NO — CID 154177814

IUPAC2-methoxycyclobuten-1-amine
SMILESCOC1=C(N)CC1
InChIInChI=1S/C5H9NO/c1-7-5-3-2-4(5)6/h2-3,6H2,1H3
InChIKeyYILOUCDMHGGACV-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.60
Rot. Bonds1

About 2-methoxycyclobuten-1-amine

2-methoxycyclobuten-1-amine (PubChem CID 154177814) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 2-methoxycyclobuten-1-amine.

Molecular Properties

Compound Name2-methoxycyclobuten-1-amine
PubChem CID154177814
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name2-methoxycyclobuten-1-amine
SMILESCOC1=C(N)CC1
InChIInChI=1S/C5H9NO/c1-7-5-3-2-4(5)6/h2-3,6H2,1H3
InChIKeyYILOUCDMHGGACV-UHFFFAOYSA-N
XLogP0.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2,3-dimethoxycyclohex-2-en-1-one
CID 130030041
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Frequently Asked Questions

What is the IUPAC name of 2-methoxycyclobuten-1-amine?
The IUPAC name of 2-methoxycyclobuten-1-amine (CID 154177814) is 2-methoxycyclobuten-1-amine.
What is the SMILES notation for 2-methoxycyclobuten-1-amine?
The canonical SMILES for 2-methoxycyclobuten-1-amine is COC1=C(N)CC1.
What is the InChIKey of 2-methoxycyclobuten-1-amine?
The InChIKey is YILOUCDMHGGACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-7-5-3-2-4(5)6/h2-3,6H2,1H3.
What are the key properties of 2-methoxycyclobuten-1-amine?
2-methoxycyclobuten-1-amine has a molecular weight of 99.13 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycyclobuten-1-amine is sourced from PubChem (CID 154177814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).