CID 177450399

C9H11Br — CID 177450399

IUPAC—
SMILESBr[C]C12CC3C1CCCC32
InChIInChI=1S/C9H11Br/c10-5-9-4-6-7(9)2-1-3-8(6)9/h6-8H,1-4H2
InChIKeyAAWAAZHWDBYJMQ-UHFFFAOYSA-N
MW199.09 g/mol
LogP2.86
Rot. Bonds1

About CID 177450399

CID 177450399 (PubChem CID 177450399) has the molecular formula C9H11Br and a molecular weight of 199.09 g/mol.

Molecular Properties

Compound NameCID 177450399
PubChem CID177450399
Molecular FormulaC9H11Br
Molecular Weight199.09 g/mol
Exact Mass198.00
IUPAC Name—
SMILESBr[C]C12CC3C1CCCC32
InChIInChI=1S/C9H11Br/c10-5-9-4-6-7(9)2-1-3-8(6)9/h6-8H,1-4H2
InChIKeyAAWAAZHWDBYJMQ-UHFFFAOYSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.09
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(dibromomethyl)tricyclo[4.2.0.02,7]octane
CID 177469763
7,7-dimethyl-1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene
CID 85195042
(1S,2R,6S)-7,7-dibromo-2-methylbicyclo[4.1.0]heptane
CID 124921029
7,8-dimethyltricyclo[5.2.1.02,6]decan-8-ol
CID 89182118
11,11-dibromobicyclo[8.1.0]undecane
CID 12759798
10,10-dibromobicyclo[7.1.0]decane
CID 12759792
1-(2-bicyclo[4.3.2]undecanyl)bicyclo[3.3.3]undecane
CID 173063113
pentacyclo[10.8.0.02,11.06,17.07,16]icosane
CID 101138772
16-N'-cyclodecyl-5-N',5-N',6-N,6-N,16-N',17-N-hexa(cyclononyl)-17-N-cyclooctylspiro[tricyclo[10.8.0.02,10]icosane-11,10'-tricyclo[9.7.0.02,9]octadecane]-5',6,16',17-tetramine
CID 134369076
CID 134889286
CID 134889286
2-ethynyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ol
CID 175858950
6-(cyclopropylmethyl)bicyclo[3.1.0]hexan-6-ol
CID 79331455

Frequently Asked Questions

What is the IUPAC name of CID 177450399?
The IUPAC name of CID 177450399 (CID 177450399) is not available.
What is the SMILES notation for CID 177450399?
The canonical SMILES for CID 177450399 is Br[C]C12CC3C1CCCC32.
What is the InChIKey of CID 177450399?
The InChIKey is AAWAAZHWDBYJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br/c10-5-9-4-6-7(9)2-1-3-8(6)9/h6-8H,1-4H2.
What are the key properties of CID 177450399?
CID 177450399 has a molecular weight of 199.09 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177450399 is sourced from PubChem (CID 177450399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).