(1S,5R)-3-(aminomethyl)-1-(iodomethyl)-5-methylcyclopent-2-en-1-ol

C8H14INO — CID 159631300

IUPAC(1S,5R)-3-(aminomethyl)-1-(iodomethyl)-5-methylcyclopent-2-en-1-ol
SMILESC[C@@H]1CC(CN)=C[C@]1(O)CI
InChIInChI=1S/C8H14INO/c1-6-2-7(4-10)3-8(6,11)5-9/h3,6,11H,2,4-5,10H2,1H3/t6-,8+/m1/s1
InChIKeyMPDWJWAINUQBEQ-SVRRBLITSA-N
MW267.11 g/mol
LogP1.08
Rot. Bonds2

About (1S,5R)-3-(aminomethyl)-1-(iodomethyl)-5-methylcyclopent-2-en-1-ol

(1S,5R)-3-(aminomethyl)-1-(iodomethyl)-5-methylcyclopent-2-en-1-ol (PubChem CID 159631300) has the molecular formula C8H14INO and a molecular weight of 267.11 g/mol. Its IUPAC name is (1S,5R)-3-(aminomethyl)-1-(iodomethyl)-5-methylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,5R)-3-(aminomethyl)-1-(iodomethyl)-5-methylcyclopent-2-en-1-ol
PubChem CID159631300
Molecular FormulaC8H14INO
Molecular Weight267.11 g/mol
Exact Mass267.01
IUPAC Name(1S,5R)-3-(aminomethyl)-1-(iodomethyl)-5-methylcyclopent-2-en-1-ol
SMILESC[C@@H]1CC(CN)=C[C@]1(O)CI
InChIInChI=1S/C8H14INO/c1-6-2-7(4-10)3-8(6,11)5-9/h3,6,11H,2,4-5,10H2,1H3/t6-,8+/m1/s1
InChIKeyMPDWJWAINUQBEQ-SVRRBLITSA-N
XLogP1.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.11
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminoethyl)-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-ol
CID 112715529
6-(2-aminoethyl)-5-methyl-4,5-dihydrocyclopenta[b]thiophen-6-ol
CID 112715527
1-ethyl-3,4-dimethyl-3-propylcyclopentene
CID 123807172
6-(2-aminoethyl)-3-chloro-5-methyl-4,5-dihydro-2H-cyclopenta[c]pyrrol-6-ol
CID 112716679
1-(aminomethyl)-2,7-dimethylcycloheptan-1-ol
CID 83905899
6-(aminomethyl)-2,5-dimethyl-4,5-dihydrocyclopenta[b]furan-6-ol
CID 112714723
4-(aminomethyl)-2-chloro-5-methyl-5,6-dihydrocyclopenta[b]furan-4-ol
CID 112715604
(1R,2S,3R)-5-(aminomethyl)cyclohex-4-ene-1,2,3-triol
CID 82668093
1-(2-aminoethyl)-2,7-dimethylcycloheptan-1-ol
CID 83906952
4-(2-aminoethyl)-5-methyl-6,7-dihydro-5H-1-benzofuran-4-ol
CID 112715380
4-(2-aminoethyl)-2,5-dimethyl-6,7-dihydro-5H-isoindol-4-ol
CID 112716249
7-(2-aminoethyl)-6-methyl-1,4,5,6-tetrahydroindazol-7-ol
CID 112715402

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-(aminomethyl)-1-(iodomethyl)-5-methylcyclopent-2-en-1-ol?
The IUPAC name of (1S,5R)-3-(aminomethyl)-1-(iodomethyl)-5-methylcyclopent-2-en-1-ol (CID 159631300) is (1S,5R)-3-(aminomethyl)-1-(iodomethyl)-5-methylcyclopent-2-en-1-ol.
What is the SMILES notation for (1S,5R)-3-(aminomethyl)-1-(iodomethyl)-5-methylcyclopent-2-en-1-ol?
The canonical SMILES for (1S,5R)-3-(aminomethyl)-1-(iodomethyl)-5-methylcyclopent-2-en-1-ol is C[C@@H]1CC(CN)=C[C@]1(O)CI.
What is the InChIKey of (1S,5R)-3-(aminomethyl)-1-(iodomethyl)-5-methylcyclopent-2-en-1-ol?
The InChIKey is MPDWJWAINUQBEQ-SVRRBLITSA-N. The full InChI is InChI=1S/C8H14INO/c1-6-2-7(4-10)3-8(6,11)5-9/h3,6,11H,2,4-5,10H2,1H3/t6-,8+/m1/s1.
What are the key properties of (1S,5R)-3-(aminomethyl)-1-(iodomethyl)-5-methylcyclopent-2-en-1-ol?
(1S,5R)-3-(aminomethyl)-1-(iodomethyl)-5-methylcyclopent-2-en-1-ol has a molecular weight of 267.11 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-(aminomethyl)-1-(iodomethyl)-5-methylcyclopent-2-en-1-ol is sourced from PubChem (CID 159631300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).