CID 174149816

C7H13B — CID 174149816

IUPAC—
SMILES[B][C@@H](C)[C@@H](C)CC=C
InChIInChI=1S/C7H13B/c1-4-5-6(2)7(3)8/h4,6-7H,1,5H2,2-3H3/t6-,7-/m0/s1
InChIKeyNEWGVRARXBROME-BQBZGAKWSA-N
MW107.99 g/mol
LogP2.18
Rot. Bonds3

About CID 174149816

CID 174149816 (PubChem CID 174149816) has the molecular formula C7H13B and a molecular weight of 107.99 g/mol.

Molecular Properties

Compound NameCID 174149816
PubChem CID174149816
Molecular FormulaC7H13B
Molecular Weight107.99 g/mol
Exact Mass108.11
IUPAC Name—
SMILES[B][C@@H](C)[C@@H](C)CC=C
InChIInChI=1S/C7H13B/c1-4-5-6(2)7(3)8/h4,6-7H,1,5H2,2-3H3/t6-,7-/m0/s1
InChIKeyNEWGVRARXBROME-BQBZGAKWSA-N
XLogP2.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.99
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 174149816 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-4-methylhex-1-ene
CID 78976582
3,4-dimethylhept-6-en-2-amine
CID 131966570
4,5,6-trimethyloct-1-ene
CID 91354249
(3S)-N,3-dimethylhex-5-en-2-amine
CID 163651135
(3R,4S)-2,3,4-trimethylhepta-1,6-diene
CID 144847395
4-iodopent-1-ene
CID 13244562
4-propan-2-ylhepta-1,6-diene
CID 14140894
(4S)-4-iodopent-1-ene
CID 88562936
[(1E)-4,5-dimethylocta-1,7-dienyl] propanoate
CID 101283460
(4S,5S)-5-methyl-4-propan-2-ylhept-1-ene
CID 59039366
(2R)-2-methylhex-5-ene-1,3-diol
CID 130652300
5-(bromomethyl)-4,7-dimethyloct-1-ene
CID 165445728

Frequently Asked Questions

What is the IUPAC name of CID 174149816?
The IUPAC name of CID 174149816 (CID 174149816) is not available.
What is the SMILES notation for CID 174149816?
The canonical SMILES for CID 174149816 is [B][C@@H](C)[C@@H](C)CC=C.
What is the InChIKey of CID 174149816?
The InChIKey is NEWGVRARXBROME-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H13B/c1-4-5-6(2)7(3)8/h4,6-7H,1,5H2,2-3H3/t6-,7-/m0/s1.
What are the key properties of CID 174149816?
CID 174149816 has a molecular weight of 107.99 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174149816 is sourced from PubChem (CID 174149816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).