CID 59464759

C10H13N — CID 59464759

IUPAC—
SMILES[CH]/C(C)=C/CC/C(C)=C/C#N
InChIInChI=1S/C10H13N/c1-9(2)5-4-6-10(3)7-8-11/h1,5,7H,4,6H2,2-3H3/b9-5-,10-7+
InChIKeyGBTOTOMXSIPNLV-UXINQVNVSA-N
MW147.22 g/mol
LogP2.89
Rot. Bonds3

About CID 59464759

CID 59464759 (PubChem CID 59464759) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol.

Molecular Properties

Compound NameCID 59464759
PubChem CID59464759
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name—
SMILES[CH]/C(C)=C/CC/C(C)=C/C#N
InChIInChI=1S/C10H13N/c1-9(2)5-4-6-10(3)7-8-11/h1,5,7H,4,6H2,2-3H3/b9-5-,10-7+
InChIKeyGBTOTOMXSIPNLV-UXINQVNVSA-N
XLogP2.89
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-3,7-dimethyl(413C)octa-2,6-dienenitrile
CID 10796920
(Z)-3-methyl-6-oxohept-2-enenitrile
CID 45085492
(2E)-3,7-dimethylocta-2,6-dienenitrile;(E)-3-phenylprop-2-enenitrile
CID 157177195
4,8-dimethyldeca-3,7-dienenitrile
CID 167623930
(2E,4E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenenitrile
CID 14631544
7-hydroxy-3,7-dimethyloct-2-enenitrile
CID 88756836
CID 59967777
CID 59967777
(E)-7-methoxy-3,7-dimethyloct-2-enenitrile
CID 88756064
2-[(2Z)-3,7-dimethylocta-2,6-dienylidene]propanedinitrile
CID 21159982
2-[(5E)-6,10-dimethylundeca-5,9-dien-2-ylidene]propanedinitrile
CID 11053838
3-methylbut-2-enenitrile
CID 178069797
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986

Frequently Asked Questions

What is the IUPAC name of CID 59464759?
The IUPAC name of CID 59464759 (CID 59464759) is not available.
What is the SMILES notation for CID 59464759?
The canonical SMILES for CID 59464759 is [CH]/C(C)=C/CC/C(C)=C/C#N.
What is the InChIKey of CID 59464759?
The InChIKey is GBTOTOMXSIPNLV-UXINQVNVSA-N. The full InChI is InChI=1S/C10H13N/c1-9(2)5-4-6-10(3)7-8-11/h1,5,7H,4,6H2,2-3H3/b9-5-,10-7+.
What are the key properties of CID 59464759?
CID 59464759 has a molecular weight of 147.22 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59464759 is sourced from PubChem (CID 59464759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).