[(1R,2R,4R)-2-(prop-2-enylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol

C11H17NO — CID 15173139

IUPAC[(1R,2R,4R)-2-(prop-2-enylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol
SMILESC=CCN[C@]1(CO)C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C11H17NO/c1-2-5-12-11(8-13)7-9-3-4-10(11)6-9/h2-4,9-10,12-13H,1,5-8H2/t9-,10+,11+/m1/s1
InChIKeyBTDTULODXKGPJV-VWYCJHECSA-N
MW179.26 g/mol
LogP1.09
Rot. Bonds4

About [(1R,2R,4R)-2-(prop-2-enylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol

[(1R,2R,4R)-2-(prop-2-enylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol (PubChem CID 15173139) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is [(1R,2R,4R)-2-(prop-2-enylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol.

Molecular Properties

Compound Name[(1R,2R,4R)-2-(prop-2-enylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol
PubChem CID15173139
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name[(1R,2R,4R)-2-(prop-2-enylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol
SMILESC=CCN[C@]1(CO)C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C11H17NO/c1-2-5-12-11(8-13)7-9-3-4-10(11)6-9/h2-4,9-10,12-13H,1,5-8H2/t9-,10+,11+/m1/s1
InChIKeyBTDTULODXKGPJV-VWYCJHECSA-N
XLogP1.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1R,2R,4R)-2-(prop-2-enylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol with MolForge

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Related Compounds

2-Hexadecylamino-2-hydroxymethylnorbornene
CID 131822
2-[(Bicyclo[2.2.1]hept-5-en-2-ylmethyl)-amino]-ethanol
CID 3154449
(1R)-1-[(4S,5S)-6-azaspiro[4.5]dec-8-en-4-yl]ethanol
CID 102084980
[(1R,2R,3S,4S)-3-(methylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 12076012
[(1S,2R,3S,4R)-3-(methylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 13510370
[3-(Hexadecylamino)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 14828004
1-(2-Bicyclo[2.2.1]hept-5-enylmethylamino)hexan-2-ol
CID 20649856
2-(2-Bicyclo[2.2.1]hept-5-enylamino)hexan-1-ol
CID 20649891
2-(2-Bicyclo[2.2.1]hept-5-enylmethylamino)hexan-1-ol
CID 20649894
(2-Amino-2-bicyclo[2.2.1]hept-5-enyl)methanol
CID 84648433
2-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol
CID 7236700
2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol
CID 7236702

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,4R)-2-(prop-2-enylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The IUPAC name of [(1R,2R,4R)-2-(prop-2-enylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol (CID 15173139) is [(1R,2R,4R)-2-(prop-2-enylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol.
What is the SMILES notation for [(1R,2R,4R)-2-(prop-2-enylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The canonical SMILES for [(1R,2R,4R)-2-(prop-2-enylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol is C=CCN[C@]1(CO)C[C@@H]2C=C[C@H]1C2.
What is the InChIKey of [(1R,2R,4R)-2-(prop-2-enylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The InChIKey is BTDTULODXKGPJV-VWYCJHECSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-5-12-11(8-13)7-9-3-4-10(11)6-9/h2-4,9-10,12-13H,1,5-8H2/t9-,10+,11+/m1/s1.
What are the key properties of [(1R,2R,4R)-2-(prop-2-enylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
[(1R,2R,4R)-2-(prop-2-enylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol has a molecular weight of 179.26 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4R)-2-(prop-2-enylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol is sourced from PubChem (CID 15173139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).