CID 87527334

C6H10BN — CID 87527334

IUPAC—
SMILES[B]N(CC=C)CC=C
InChIInChI=1S/C6H10BN/c1-3-5-8(7)6-4-2/h3-4H,1-2,5-6H2
InChIKeyAKGIFKRUASRYLP-UHFFFAOYSA-N
MW106.97 g/mol
LogP0.74
Rot. Bonds4

About CID 87527334

CID 87527334 (PubChem CID 87527334) has the molecular formula C6H10BN and a molecular weight of 106.97 g/mol.

Molecular Properties

Compound NameCID 87527334
PubChem CID87527334
Molecular FormulaC6H10BN
Molecular Weight106.97 g/mol
Exact Mass107.09
IUPAC Name—
SMILES[B]N(CC=C)CC=C
InChIInChI=1S/C6H10BN/c1-3-5-8(7)6-4-2/h3-4H,1-2,5-6H2
InChIKeyAKGIFKRUASRYLP-UHFFFAOYSA-N
XLogP0.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.97
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibromoprop-2-en-1-amine
CID 19789972
N,N-bis(prop-2-enyl)thiohydroxylamine
CID 87220741
N-prop-2-enyl-N-[tris[bis(prop-2-enyl)amino]-λ4-tellanyl]prop-2-en-1-amine
CID 87671284
N-methyl-N-prop-2-enylprop-2-en-1-amine;hydroiodide
CID 141311417
azane;N,N-dimethylprop-2-en-1-amine
CID 87892299
1,1-bis(prop-2-enyl)hydrazine;dihydrochloride
CID 174545324
bis[bis(prop-2-enyl)amino]phosphanium
CID 173462089
N-bis[bis(prop-2-enyl)amino]stibanyl-N-prop-2-enylprop-2-en-1-amine
CID 87378499
tris[bis(prop-2-enyl)amino]sulfanium
CID 87207989
N,N-dimethylprop-2-en-1-amine;gold;dihydrochloride
CID 174904826
N'-(aminomethyl)-N'-prop-2-enylmethanediamine
CID 170275951
ethane;N-ethyl-N-prop-2-enylprop-2-en-1-amine
CID 143235100

Frequently Asked Questions

What is the IUPAC name of CID 87527334?
The IUPAC name of CID 87527334 (CID 87527334) is not available.
What is the SMILES notation for CID 87527334?
The canonical SMILES for CID 87527334 is [B]N(CC=C)CC=C.
What is the InChIKey of CID 87527334?
The InChIKey is AKGIFKRUASRYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BN/c1-3-5-8(7)6-4-2/h3-4H,1-2,5-6H2.
What are the key properties of CID 87527334?
CID 87527334 has a molecular weight of 106.97 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87527334 is sourced from PubChem (CID 87527334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).