7-cyclopropyl-4-imino-1-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-2-one

C12H20N4O — CID 138390718

IUPAC7-cyclopropyl-4-imino-1-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-2-one
SMILES[H]/N=C1\NC(=O)N(C(C)C)C12CCN(C1CC1)C2
InChIInChI=1S/C12H20N4O/c1-8(2)16-11(17)14-10(13)12(16)5-6-15(7-12)9-3-4-9/h8-9H,3-7H2,1-2H3,(H2,13,14,17)
InChIKeyAJKASBGUXOISIW-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.00
Rot. Bonds2

About 7-cyclopropyl-4-imino-1-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-2-one

7-cyclopropyl-4-imino-1-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-2-one (PubChem CID 138390718) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 7-cyclopropyl-4-imino-1-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name7-cyclopropyl-4-imino-1-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-2-one
PubChem CID138390718
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name7-cyclopropyl-4-imino-1-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-2-one
SMILES[H]/N=C1\NC(=O)N(C(C)C)C12CCN(C1CC1)C2
InChIInChI=1S/C12H20N4O/c1-8(2)16-11(17)14-10(13)12(16)5-6-15(7-12)9-3-4-9/h8-9H,3-7H2,1-2H3,(H2,13,14,17)
InChIKeyAJKASBGUXOISIW-UHFFFAOYSA-N
XLogP1.00
TPSA59.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-4-imino-1-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-2-one?
The IUPAC name of 7-cyclopropyl-4-imino-1-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-2-one (CID 138390718) is 7-cyclopropyl-4-imino-1-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 7-cyclopropyl-4-imino-1-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-2-one?
The canonical SMILES for 7-cyclopropyl-4-imino-1-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-2-one is [H]/N=C1\NC(=O)N(C(C)C)C12CCN(C1CC1)C2.
What is the InChIKey of 7-cyclopropyl-4-imino-1-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-2-one?
The InChIKey is AJKASBGUXOISIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8(2)16-11(17)14-10(13)12(16)5-6-15(7-12)9-3-4-9/h8-9H,3-7H2,1-2H3,(H2,13,14,17).
What are the key properties of 7-cyclopropyl-4-imino-1-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-2-one?
7-cyclopropyl-4-imino-1-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-2-one has a molecular weight of 236.32 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-4-imino-1-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 138390718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).