3-iodo-3,9-diazaspiro[5.5]undec-4-ene

C9H15IN2 — CID 167040422

IUPAC3-iodo-3,9-diazaspiro[5.5]undec-4-ene
SMILESIN1C=CC2(CCNCC2)CC1
InChIInChI=1S/C9H15IN2/c10-12-7-3-9(4-8-12)1-5-11-6-2-9/h3,7,11H,1-2,4-6,8H2
InChIKeyPHFFGYWNVTUJMK-UHFFFAOYSA-N
MW278.14 g/mol
LogP1.93
Rot. Bonds

About 3-iodo-3,9-diazaspiro[5.5]undec-4-ene

3-iodo-3,9-diazaspiro[5.5]undec-4-ene (PubChem CID 167040422) has the molecular formula C9H15IN2 and a molecular weight of 278.14 g/mol. Its IUPAC name is 3-iodo-3,9-diazaspiro[5.5]undec-4-ene.

Molecular Properties

Compound Name3-iodo-3,9-diazaspiro[5.5]undec-4-ene
PubChem CID167040422
Molecular FormulaC9H15IN2
Molecular Weight278.14 g/mol
Exact Mass278.03
IUPAC Name3-iodo-3,9-diazaspiro[5.5]undec-4-ene
SMILESIN1C=CC2(CCNCC2)CC1
InChIInChI=1S/C9H15IN2/c10-12-7-3-9(4-8-12)1-5-11-6-2-9/h3,7,11H,1-2,4-6,8H2
InChIKeyPHFFGYWNVTUJMK-UHFFFAOYSA-N
XLogP1.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

4-(3-azaspiro[5.5]undec-10-en-9-yl)morpholine
CID 131648776
2,8-diazaspiro[4.5]dec-1-ene
CID 118457648
2,7-diazaspiro[4.4]non-3-ene
CID 23135247
4-(3,9-diazaspiro[5.5]undecan-3-yl)benzaldehyde
CID 87406619
1,2-dioxa-8-azaspiro[4.5]decane
CID 22220472
3-(4-chlorophenyl)-3,9-diazaspiro[5.5]undecane
CID 15940805
cerium;piperazine
CID 175976631
4,4-dimethoxypiperidine
CID 557469
1,7-diazaspiro[3.5]nonane;ethane
CID 168977317
1,8-diazaspiro[4.5]decane-1-carbaldehyde
CID 83618513
4-ethenyl-4-piperidin-1-ylpiperidine
CID 125454266
1-(4-ethenylpiperidin-4-yl)azepane
CID 125453921

Frequently Asked Questions

What is the IUPAC name of 3-iodo-3,9-diazaspiro[5.5]undec-4-ene?
The IUPAC name of 3-iodo-3,9-diazaspiro[5.5]undec-4-ene (CID 167040422) is 3-iodo-3,9-diazaspiro[5.5]undec-4-ene.
What is the SMILES notation for 3-iodo-3,9-diazaspiro[5.5]undec-4-ene?
The canonical SMILES for 3-iodo-3,9-diazaspiro[5.5]undec-4-ene is IN1C=CC2(CCNCC2)CC1.
What is the InChIKey of 3-iodo-3,9-diazaspiro[5.5]undec-4-ene?
The InChIKey is PHFFGYWNVTUJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15IN2/c10-12-7-3-9(4-8-12)1-5-11-6-2-9/h3,7,11H,1-2,4-6,8H2.
What are the key properties of 3-iodo-3,9-diazaspiro[5.5]undec-4-ene?
3-iodo-3,9-diazaspiro[5.5]undec-4-ene has a molecular weight of 278.14 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-3,9-diazaspiro[5.5]undec-4-ene is sourced from PubChem (CID 167040422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).