CID 59111411

C10H17N — CID 59111411

IUPAC—
SMILES[CH]CC(CN)(CC=C)CC=C
InChIInChI=1S/C10H17N/c1-4-7-10(6-3,9-11)8-5-2/h3-5H,1-2,6-9,11H2
InChIKeyDODQNIAWJNLEBY-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.18
Rot. Bonds6

About CID 59111411

CID 59111411 (PubChem CID 59111411) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol.

Molecular Properties

Compound NameCID 59111411
PubChem CID59111411
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name—
SMILES[CH]CC(CN)(CC=C)CC=C
InChIInChI=1S/C10H17N/c1-4-7-10(6-3,9-11)8-5-2/h3-5H,1-2,6-9,11H2
InChIKeyDODQNIAWJNLEBY-UHFFFAOYSA-N
XLogP2.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59111411?
The IUPAC name of CID 59111411 (CID 59111411) is not available.
What is the SMILES notation for CID 59111411?
The canonical SMILES for CID 59111411 is [CH]CC(CN)(CC=C)CC=C.
What is the InChIKey of CID 59111411?
The InChIKey is DODQNIAWJNLEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-7-10(6-3,9-11)8-5-2/h3-5H,1-2,6-9,11H2.
What are the key properties of CID 59111411?
CID 59111411 has a molecular weight of 151.25 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59111411 is sourced from PubChem (CID 59111411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).