[(1S,2R,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol;hydrochloride

C7H12ClNO — CID 170918285

IUPAC[(1S,2R,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol;hydrochloride
SMILESCl.OC[C@@H]1NC[C@@H]2C=C[C@H]12
InChIInChI=1S/C7H11NO.ClH/c9-4-7-6-2-1-5(6)3-8-7;/h1-2,5-9H,3-4H2;1H/t5-,6-,7-;/m0./s1
InChIKeyDGIWMVSLVAVIEH-MKXDVQRUSA-N
MW161.63 g/mol
LogP0.17
Rot. Bonds1

About [(1S,2R,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol;hydrochloride

[(1S,2R,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol;hydrochloride (PubChem CID 170918285) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is [(1S,2R,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(1S,2R,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol;hydrochloride
PubChem CID170918285
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Name[(1S,2R,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol;hydrochloride
SMILESCl.OC[C@@H]1NC[C@@H]2C=C[C@H]12
InChIInChI=1S/C7H11NO.ClH/c9-4-7-6-2-1-5(6)3-8-7;/h1-2,5-9H,3-4H2;1H/t5-,6-,7-;/m0./s1
InChIKeyDGIWMVSLVAVIEH-MKXDVQRUSA-N
XLogP0.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol
CID 170914901
(2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol chloride
CID 51371170
(2R,4R)-2-(hydroxymethyl)piperidine-3,4,5-triol;(3S,4S)-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 157357410
[(2R)-3,4-difluoropyrrolidin-2-yl]methanol
CID 175590240
2-(hydroxymethyl)piperidine-3,4,5-triol;tungsten
CID 140623793
[(1R,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;hydrochloride
CID 126969951
[(2S,3S)-3-prop-2-enylazetidin-2-yl]methanol
CID 131014550
[(1R,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanol
CID 124582700
(2-ethylazetidin-3-yl)methanol
CID 105427056
2-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride
CID 73200189
[(1S,3aR,7aS)-2,3,3a,4,7,7a-hexahydro-1H-isoindol-1-yl]methanol
CID 67566586
[(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol
CID 59551331

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol;hydrochloride?
The IUPAC name of [(1S,2R,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol;hydrochloride (CID 170918285) is [(1S,2R,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol;hydrochloride.
What is the SMILES notation for [(1S,2R,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol;hydrochloride?
The canonical SMILES for [(1S,2R,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol;hydrochloride is Cl.OC[C@@H]1NC[C@@H]2C=C[C@H]12.
What is the InChIKey of [(1S,2R,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol;hydrochloride?
The InChIKey is DGIWMVSLVAVIEH-MKXDVQRUSA-N. The full InChI is InChI=1S/C7H11NO.ClH/c9-4-7-6-2-1-5(6)3-8-7;/h1-2,5-9H,3-4H2;1H/t5-,6-,7-;/m0./s1.
What are the key properties of [(1S,2R,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol;hydrochloride?
[(1S,2R,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol;hydrochloride has a molecular weight of 161.63 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol;hydrochloride is sourced from PubChem (CID 170918285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).