[(1R)-1-amino-5-chlorocyclohexa-2,4-dien-1-yl]methanol

C7H10ClNO — CID 173234020

IUPAC[(1R)-1-amino-5-chlorocyclohexa-2,4-dien-1-yl]methanol
SMILESN[C@@]1(CO)C=CC=C(Cl)C1
InChIInChI=1S/C7H10ClNO/c8-6-2-1-3-7(9,4-6)5-10/h1-3,10H,4-5,9H2/t7-/m0/s1
InChIKeyCKVKUSQIDMPGOJ-ZETCQYMHSA-N
MW159.62 g/mol
LogP0.76
Rot. Bonds1

About [(1R)-1-amino-5-chlorocyclohexa-2,4-dien-1-yl]methanol

[(1R)-1-amino-5-chlorocyclohexa-2,4-dien-1-yl]methanol (PubChem CID 173234020) has the molecular formula C7H10ClNO and a molecular weight of 159.62 g/mol. Its IUPAC name is [(1R)-1-amino-5-chlorocyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[(1R)-1-amino-5-chlorocyclohexa-2,4-dien-1-yl]methanol
PubChem CID173234020
Molecular FormulaC7H10ClNO
Molecular Weight159.62 g/mol
Exact Mass159.05
IUPAC Name[(1R)-1-amino-5-chlorocyclohexa-2,4-dien-1-yl]methanol
SMILESN[C@@]1(CO)C=CC=C(Cl)C1
InChIInChI=1S/C7H10ClNO/c8-6-2-1-3-7(9,4-6)5-10/h1-3,10H,4-5,9H2/t7-/m0/s1
InChIKeyCKVKUSQIDMPGOJ-ZETCQYMHSA-N
XLogP0.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-1-iodocyclohexa-2,4-dien-1-ol
CID 67435049
5-chloro-1-phenylcyclohexa-2,4-dien-1-ol
CID 151690344
1-chlorocyclohexa-3,5-diene-1,3-diol
CID 69203457
1-[(1,5-dichlorocyclohexa-2,4-dien-1-yl)methyl]-2-(trifluoromethyl)benzene
CID 173052202
(2,6-diamino-1H-pyridin-2-yl)methanol
CID 170695917
[1,6-bis(hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-2-yl]methanol
CID 141334868
5-amino-5-methylcyclohexa-1,3-diene-1-carboxylic acid
CID 19605004
1,5-diamino-4-chlorocyclohexa-2,4-diene-1-carboxylic acid
CID 140718888
5-(chloromethyl)-1-methoxycyclohexa-2,4-dien-1-amine
CID 150804324
6-amino-6-(hydroxymethyl)-7,8-dihydro-5H-naphthalen-2-ol
CID 13177868
5-(5,5-dicarboxycyclohexa-1,3-dien-1-yl)oxycyclohexa-2,4-diene-1,1-dicarboxylic acid
CID 138471628
5-(2,3-dihydroxypropoxy)-5-methoxycyclohexa-1,3-diene-1-carboxamide
CID 67946506

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-amino-5-chlorocyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of [(1R)-1-amino-5-chlorocyclohexa-2,4-dien-1-yl]methanol (CID 173234020) is [(1R)-1-amino-5-chlorocyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for [(1R)-1-amino-5-chlorocyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for [(1R)-1-amino-5-chlorocyclohexa-2,4-dien-1-yl]methanol is N[C@@]1(CO)C=CC=C(Cl)C1.
What is the InChIKey of [(1R)-1-amino-5-chlorocyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is CKVKUSQIDMPGOJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H10ClNO/c8-6-2-1-3-7(9,4-6)5-10/h1-3,10H,4-5,9H2/t7-/m0/s1.
What are the key properties of [(1R)-1-amino-5-chlorocyclohexa-2,4-dien-1-yl]methanol?
[(1R)-1-amino-5-chlorocyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 159.62 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-amino-5-chlorocyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 173234020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).