CID 102411509

C4H6N — CID 102411509

IUPAC—
SMILES[2H]C([2H])([2H])[CH]CC#N
InChIInChI=1S/C4H6N/c1-2-3-4-5/h2H,3H2,1H3/i1D3
InChIKeyOMNMNCZIDIDVDN-FIBGUPNXSA-N
MW71.12 g/mol
LogP1.12
Rot. Bonds2

About CID 102411509

CID 102411509 (PubChem CID 102411509) has the molecular formula C4H6N and a molecular weight of 71.12 g/mol.

Molecular Properties

Compound NameCID 102411509
PubChem CID102411509
Molecular FormulaC4H6N
Molecular Weight71.12 g/mol
Exact Mass71.07
IUPAC Name—
SMILES[2H]C([2H])([2H])[CH]CC#N
InChIInChI=1S/C4H6N/c1-2-3-4-5/h2H,3H2,1H3/i1D3
InChIKeyOMNMNCZIDIDVDN-FIBGUPNXSA-N
XLogP1.12
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50071.12
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

pent-3-enenitrile
CID 158010428
2,2,3-trideuteriopropanenitrile
CID 139606733
(Z)-4-aminopent-3-enenitrile
CID 55289579
(Z)-5,5-dimethylhex-3-enenitrile
CID 643805
(2S)-2-deuteriopropanenitrile
CID 136728619
3-diazopropanenitrile
CID 19980773
2-cyanoethylidenecyanamide
CID 21427158
cyanophosphanium
CID 23594344
benzene;but-3-enenitrile
CID 174828108
(E)-5-hydroxypent-3-enenitrile
CID 15256586
(3E,6E,9E)-trideca-3,6,9-trienenitrile
CID 101282411
but-3-enenitrile;rhenium
CID 155688776

Frequently Asked Questions

What is the IUPAC name of CID 102411509?
The IUPAC name of CID 102411509 (CID 102411509) is not available.
What is the SMILES notation for CID 102411509?
The canonical SMILES for CID 102411509 is [2H]C([2H])([2H])[CH]CC#N.
What is the InChIKey of CID 102411509?
The InChIKey is OMNMNCZIDIDVDN-FIBGUPNXSA-N. The full InChI is InChI=1S/C4H6N/c1-2-3-4-5/h2H,3H2,1H3/i1D3.
What are the key properties of CID 102411509?
CID 102411509 has a molecular weight of 71.12 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102411509 is sourced from PubChem (CID 102411509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).