ethane;3-methylidene-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole

C9H18N2 — CID 91148026

IUPACethane;3-methylidene-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole
SMILESC=C1NCC2CCCN12.CC
InChIInChI=1S/C7H12N2.C2H6/c1-6-8-5-7-3-2-4-9(6)7;1-2/h7-8H,1-5H2;1-2H3
InChIKeyNKTHNTXITSTIOU-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.55
Rot. Bonds

About ethane;3-methylidene-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole

ethane;3-methylidene-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole (PubChem CID 91148026) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;3-methylidene-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole.

Molecular Properties

Compound Nameethane;3-methylidene-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole
PubChem CID91148026
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;3-methylidene-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole
SMILESC=C1NCC2CCCN12.CC
InChIInChI=1S/C7H12N2.C2H6/c1-6-8-5-7-3-2-4-9(6)7;1-2/h7-8H,1-5H2;1-2H3
InChIKeyNKTHNTXITSTIOU-UHFFFAOYSA-N
XLogP1.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methylidene-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole?
The IUPAC name of ethane;3-methylidene-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole (CID 91148026) is ethane;3-methylidene-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole.
What is the SMILES notation for ethane;3-methylidene-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole?
The canonical SMILES for ethane;3-methylidene-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole is C=C1NCC2CCCN12.CC.
What is the InChIKey of ethane;3-methylidene-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole?
The InChIKey is NKTHNTXITSTIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-6-8-5-7-3-2-4-9(6)7;1-2/h7-8H,1-5H2;1-2H3.
What are the key properties of ethane;3-methylidene-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole?
ethane;3-methylidene-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole has a molecular weight of 154.26 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylidene-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole is sourced from PubChem (CID 91148026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).