3-azabicyclo[3.1.0]hexan-6-yl(cyclopropyl)methanone;hydrochloride

C9H14ClNO — CID 165152458

IUPAC3-azabicyclo[3.1.0]hexan-6-yl(cyclopropyl)methanone;hydrochloride
SMILESCl.O=C(C1CC1)C1C2CNCC21
InChIInChI=1S/C9H13NO.ClH/c11-9(5-1-2-5)8-6-3-10-4-7(6)8;/h5-8,10H,1-4H2;1H
InChIKeyAHUBLTCOYVVLLU-UHFFFAOYSA-N
MW187.67 g/mol
LogP0.85
Rot. Bonds2

About 3-azabicyclo[3.1.0]hexan-6-yl(cyclopropyl)methanone;hydrochloride

3-azabicyclo[3.1.0]hexan-6-yl(cyclopropyl)methanone;hydrochloride (PubChem CID 165152458) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is 3-azabicyclo[3.1.0]hexan-6-yl(cyclopropyl)methanone;hydrochloride.

Molecular Properties

Compound Name3-azabicyclo[3.1.0]hexan-6-yl(cyclopropyl)methanone;hydrochloride
PubChem CID165152458
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC Name3-azabicyclo[3.1.0]hexan-6-yl(cyclopropyl)methanone;hydrochloride
SMILESCl.O=C(C1CC1)C1C2CNCC21
InChIInChI=1S/C9H13NO.ClH/c11-9(5-1-2-5)8-6-3-10-4-7(6)8;/h5-8,10H,1-4H2;1H
InChIKeyAHUBLTCOYVVLLU-UHFFFAOYSA-N
XLogP0.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 129369631
tert-butyl (5R)-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 91040516
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl(cyclobutyl)methanone
CID 25097848
(1S,5R)-N-ethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 131207269
methyl (3R,4R)-4-cyclopropylpyrrolidine-3-carboxylate;hydrochloride
CID 155905262
N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 130644756
1-(azetidin-3-yl)propan-1-one;hydrochloride
CID 142435570
N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 11789290
di(cyclobutyl)methanone;trihydrochloride
CID 174768211
azetidine-3-carbonyl azetidine-3-carboxylate
CID 57199777
[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 154911058
1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]propan-1-one;2,2,2-trifluoroacetic acid
CID 137360417

Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.1.0]hexan-6-yl(cyclopropyl)methanone;hydrochloride?
The IUPAC name of 3-azabicyclo[3.1.0]hexan-6-yl(cyclopropyl)methanone;hydrochloride (CID 165152458) is 3-azabicyclo[3.1.0]hexan-6-yl(cyclopropyl)methanone;hydrochloride.
What is the SMILES notation for 3-azabicyclo[3.1.0]hexan-6-yl(cyclopropyl)methanone;hydrochloride?
The canonical SMILES for 3-azabicyclo[3.1.0]hexan-6-yl(cyclopropyl)methanone;hydrochloride is Cl.O=C(C1CC1)C1C2CNCC21.
What is the InChIKey of 3-azabicyclo[3.1.0]hexan-6-yl(cyclopropyl)methanone;hydrochloride?
The InChIKey is AHUBLTCOYVVLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.ClH/c11-9(5-1-2-5)8-6-3-10-4-7(6)8;/h5-8,10H,1-4H2;1H.
What are the key properties of 3-azabicyclo[3.1.0]hexan-6-yl(cyclopropyl)methanone;hydrochloride?
3-azabicyclo[3.1.0]hexan-6-yl(cyclopropyl)methanone;hydrochloride has a molecular weight of 187.67 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.1.0]hexan-6-yl(cyclopropyl)methanone;hydrochloride is sourced from PubChem (CID 165152458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).