(1S,6R)-2-(2-bromoprop-2-enyl)-2-azabicyclo[4.1.0]heptane

C9H14BrN — CID 131207018

IUPAC(1S,6R)-2-(2-bromoprop-2-enyl)-2-azabicyclo[4.1.0]heptane
SMILESC=C(Br)CN1CCC[C@@H]2C[C@@H]21
InChIInChI=1S/C9H14BrN/c1-7(10)6-11-4-2-3-8-5-9(8)11/h8-9H,1-6H2/t8-,9+/m1/s1
InChIKeyULQHVOBPFPWALH-BDAKNGLRSA-N
MW216.12 g/mol
LogP2.38
Rot. Bonds2

About (1S,6R)-2-(2-bromoprop-2-enyl)-2-azabicyclo[4.1.0]heptane

(1S,6R)-2-(2-bromoprop-2-enyl)-2-azabicyclo[4.1.0]heptane (PubChem CID 131207018) has the molecular formula C9H14BrN and a molecular weight of 216.12 g/mol. Its IUPAC name is (1S,6R)-2-(2-bromoprop-2-enyl)-2-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1S,6R)-2-(2-bromoprop-2-enyl)-2-azabicyclo[4.1.0]heptane
PubChem CID131207018
Molecular FormulaC9H14BrN
Molecular Weight216.12 g/mol
Exact Mass215.03
IUPAC Name(1S,6R)-2-(2-bromoprop-2-enyl)-2-azabicyclo[4.1.0]heptane
SMILESC=C(Br)CN1CCC[C@@H]2C[C@@H]21
InChIInChI=1S/C9H14BrN/c1-7(10)6-11-4-2-3-8-5-9(8)11/h8-9H,1-6H2/t8-,9+/m1/s1
InChIKeyULQHVOBPFPWALH-BDAKNGLRSA-N
XLogP2.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.12
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methylidenebutyl)-2-azabicyclo[3.1.0]hexane
CID 131155912
1-(2-bromoprop-2-enyl)-2-methylpiperidin-3-amine
CID 130993309
(1S,6R)-2-propyl-2-azabicyclo[4.1.0]heptane
CID 130645060
4-(2-bromoprop-2-enyl)-3-cyclopropylmorpholine
CID 130660267
(1S,6R)-2-prop-2-ynyl-2-azabicyclo[4.1.0]heptane
CID 130991319
2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]acetonitrile
CID 131084599
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]prop-2-enoic acid
CID 102727093
1-[2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]ethyl]cyclopropan-1-ol
CID 131177109
(1S)-1-[(2S)-1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol
CID 95321466
(1R)-1-[(2R)-1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol
CID 95321469
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)prop-1-en-2-yl-trifluoroboranuide
CID 106746132
2-(3,3,3-trifluoropropyl)-2-azabicyclo[4.1.0]heptane
CID 130608809

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-2-(2-bromoprop-2-enyl)-2-azabicyclo[4.1.0]heptane?
The IUPAC name of (1S,6R)-2-(2-bromoprop-2-enyl)-2-azabicyclo[4.1.0]heptane (CID 131207018) is (1S,6R)-2-(2-bromoprop-2-enyl)-2-azabicyclo[4.1.0]heptane.
What is the SMILES notation for (1S,6R)-2-(2-bromoprop-2-enyl)-2-azabicyclo[4.1.0]heptane?
The canonical SMILES for (1S,6R)-2-(2-bromoprop-2-enyl)-2-azabicyclo[4.1.0]heptane is C=C(Br)CN1CCC[C@@H]2C[C@@H]21.
What is the InChIKey of (1S,6R)-2-(2-bromoprop-2-enyl)-2-azabicyclo[4.1.0]heptane?
The InChIKey is ULQHVOBPFPWALH-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H14BrN/c1-7(10)6-11-4-2-3-8-5-9(8)11/h8-9H,1-6H2/t8-,9+/m1/s1.
What are the key properties of (1S,6R)-2-(2-bromoprop-2-enyl)-2-azabicyclo[4.1.0]heptane?
(1S,6R)-2-(2-bromoprop-2-enyl)-2-azabicyclo[4.1.0]heptane has a molecular weight of 216.12 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-2-(2-bromoprop-2-enyl)-2-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 131207018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).