bicyclo[3.1.0]hexan-6-amine;methyl propanoate

C10H19NO2 — CID 174649590

IUPACbicyclo[3.1.0]hexan-6-amine;methyl propanoate
SMILESCCC(=O)OC.NC1C2CCCC12
InChIInChI=1S/C6H11N.C4H8O2/c7-6-4-2-1-3-5(4)6;1-3-4(5)6-2/h4-6H,1-3,7H2;3H2,1-2H3
InChIKeyZSADGZWOWLBBIH-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.31
Rot. Bonds1

About bicyclo[3.1.0]hexan-6-amine;methyl propanoate

bicyclo[3.1.0]hexan-6-amine;methyl propanoate (PubChem CID 174649590) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is bicyclo[3.1.0]hexan-6-amine;methyl propanoate.

Molecular Properties

Compound Namebicyclo[3.1.0]hexan-6-amine;methyl propanoate
PubChem CID174649590
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namebicyclo[3.1.0]hexan-6-amine;methyl propanoate
SMILESCCC(=O)OC.NC1C2CCCC12
InChIInChI=1S/C6H11N.C4H8O2/c7-6-4-2-1-3-5(4)6;1-3-4(5)6-2/h4-6H,1-3,7H2;3H2,1-2H3
InChIKeyZSADGZWOWLBBIH-UHFFFAOYSA-N
XLogP1.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hexan-6-amine;methyl propanoate?
The IUPAC name of bicyclo[3.1.0]hexan-6-amine;methyl propanoate (CID 174649590) is bicyclo[3.1.0]hexan-6-amine;methyl propanoate.
What is the SMILES notation for bicyclo[3.1.0]hexan-6-amine;methyl propanoate?
The canonical SMILES for bicyclo[3.1.0]hexan-6-amine;methyl propanoate is CCC(=O)OC.NC1C2CCCC12.
What is the InChIKey of bicyclo[3.1.0]hexan-6-amine;methyl propanoate?
The InChIKey is ZSADGZWOWLBBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C4H8O2/c7-6-4-2-1-3-5(4)6;1-3-4(5)6-2/h4-6H,1-3,7H2;3H2,1-2H3.
What are the key properties of bicyclo[3.1.0]hexan-6-amine;methyl propanoate?
bicyclo[3.1.0]hexan-6-amine;methyl propanoate has a molecular weight of 185.27 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexan-6-amine;methyl propanoate is sourced from PubChem (CID 174649590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).