4-(aminomethyl)-2-chloro-5-methyl-5,6-dihydrocyclopenta[b]furan-4-ol

C9H12ClNO2 — CID 112715604

IUPAC4-(aminomethyl)-2-chloro-5-methyl-5,6-dihydrocyclopenta[b]furan-4-ol
SMILESCC1Cc2oc(Cl)cc2C1(O)CN
InChIInChI=1S/C9H12ClNO2/c1-5-2-7-6(3-8(10)13-7)9(5,12)4-11/h3,5,12H,2,4,11H2,1H3
InChIKeyMQDUSIFEVHWGSY-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.27
Rot. Bonds1

About 4-(aminomethyl)-2-chloro-5-methyl-5,6-dihydrocyclopenta[b]furan-4-ol

4-(aminomethyl)-2-chloro-5-methyl-5,6-dihydrocyclopenta[b]furan-4-ol (PubChem CID 112715604) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 4-(aminomethyl)-2-chloro-5-methyl-5,6-dihydrocyclopenta[b]furan-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-2-chloro-5-methyl-5,6-dihydrocyclopenta[b]furan-4-ol
PubChem CID112715604
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name4-(aminomethyl)-2-chloro-5-methyl-5,6-dihydrocyclopenta[b]furan-4-ol
SMILESCC1Cc2oc(Cl)cc2C1(O)CN
InChIInChI=1S/C9H12ClNO2/c1-5-2-7-6(3-8(10)13-7)9(5,12)4-11/h3,5,12H,2,4,11H2,1H3
InChIKeyMQDUSIFEVHWGSY-UHFFFAOYSA-N
XLogP1.27
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid
CID 112716453
6-(aminomethyl)-2,5-dimethyl-4,5-dihydrocyclopenta[b]furan-6-ol
CID 112714723
4-(aminomethyl)-6-fluoro-3-methyl-2,3-dihydrochromen-4-ol
CID 112716526
6-(2-aminoethyl)-3-chloro-5-methyl-4,5-dihydro-2H-cyclopenta[c]pyrrol-6-ol
CID 112716679
4-(2-aminoethyl)-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-ol
CID 112715529
(2-chloro-4,5,6,7-tetrahydro-1-benzofuran-5-yl)methanamine
CID 83915248
2-(4-hydroxy-5-methyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid
CID 112715471
2-(2-chloro-5,6-dihydro-4H-cyclopenta[b]furan-4-yl)ethanamine
CID 83906976
4-(aminomethyl)-2-ethyl-6,7-dihydro-5H-1-benzofuran-4-ol
CID 83907829
4-(2-aminoethyl)-5-methyl-6,7-dihydro-5H-1-benzofuran-4-ol
CID 112715380
(1S,5R)-3-(aminomethyl)-1-(iodomethyl)-5-methylcyclopent-2-en-1-ol
CID 159631300
3-[1-(aminomethyl)cyclopentyl]-2-chloro-5-methylphenol
CID 117352123

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-chloro-5-methyl-5,6-dihydrocyclopenta[b]furan-4-ol?
The IUPAC name of 4-(aminomethyl)-2-chloro-5-methyl-5,6-dihydrocyclopenta[b]furan-4-ol (CID 112715604) is 4-(aminomethyl)-2-chloro-5-methyl-5,6-dihydrocyclopenta[b]furan-4-ol.
What is the SMILES notation for 4-(aminomethyl)-2-chloro-5-methyl-5,6-dihydrocyclopenta[b]furan-4-ol?
The canonical SMILES for 4-(aminomethyl)-2-chloro-5-methyl-5,6-dihydrocyclopenta[b]furan-4-ol is CC1Cc2oc(Cl)cc2C1(O)CN.
What is the InChIKey of 4-(aminomethyl)-2-chloro-5-methyl-5,6-dihydrocyclopenta[b]furan-4-ol?
The InChIKey is MQDUSIFEVHWGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-5-2-7-6(3-8(10)13-7)9(5,12)4-11/h3,5,12H,2,4,11H2,1H3.
What are the key properties of 4-(aminomethyl)-2-chloro-5-methyl-5,6-dihydrocyclopenta[b]furan-4-ol?
4-(aminomethyl)-2-chloro-5-methyl-5,6-dihydrocyclopenta[b]furan-4-ol has a molecular weight of 201.65 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-chloro-5-methyl-5,6-dihydrocyclopenta[b]furan-4-ol is sourced from PubChem (CID 112715604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).