(4R,7R)-4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene

C10H16N2 — CID 135334684

IUPAC(4R,7R)-4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene
SMILESC=C(C)[C@@H]1CC[C@@H](C)C2(C1)N=N2
InChIInChI=1S/C10H16N2/c1-7(2)9-5-4-8(3)10(6-9)11-12-10/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1
InChIKeyAAMFVLISUWNNGS-RKDXNWHRSA-N
MW164.25 g/mol
LogP3.16
Rot. Bonds1

About (4R,7R)-4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene

(4R,7R)-4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene (PubChem CID 135334684) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (4R,7R)-4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene.

Molecular Properties

Compound Name(4R,7R)-4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene
PubChem CID135334684
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(4R,7R)-4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene
SMILESC=C(C)[C@@H]1CC[C@@H](C)C2(C1)N=N2
InChIInChI=1S/C10H16N2/c1-7(2)9-5-4-8(3)10(6-9)11-12-10/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1
InChIKeyAAMFVLISUWNNGS-RKDXNWHRSA-N
XLogP3.16
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.16
H-Bond Donors ≤ 50
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 (4R,7R)-4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene?
The IUPAC name of (4R,7R)-4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene (CID 135334684) is (4R,7R)-4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene.
What is the SMILES notation for (4R,7R)-4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene?
The canonical SMILES for (4R,7R)-4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene is C=C(C)[C@@H]1CC[C@@H](C)C2(C1)N=N2.
What is the InChIKey of (4R,7R)-4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene?
The InChIKey is AAMFVLISUWNNGS-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H16N2/c1-7(2)9-5-4-8(3)10(6-9)11-12-10/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1.
What are the key properties of (4R,7R)-4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene?
(4R,7R)-4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene has a molecular weight of 164.25 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7R)-4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene is sourced from PubChem (CID 135334684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).