CID 145359118

C9H18NP — CID 145359118

IUPAC—
SMILESCCCC1=CCCC=C1.NP
InChIInChI=1S/C9H14.H4NP/c1-2-6-9-7-4-3-5-8-9;1-2/h4,7-8H,2-3,5-6H2,1H3;1-2H2
InChIKeyVPMMECWCPRYJIK-UHFFFAOYSA-N
MW171.22 g/mol
LogP2.80
Rot. Bonds2

About CID 145359118

CID 145359118 (PubChem CID 145359118) has the molecular formula C9H18NP and a molecular weight of 171.22 g/mol.

Molecular Properties

Compound NameCID 145359118
PubChem CID145359118
Molecular FormulaC9H18NP
Molecular Weight171.22 g/mol
Exact Mass171.12
IUPAC Name—
SMILESCCCC1=CCCC=C1.NP
InChIInChI=1S/C9H14.H4NP/c1-2-6-9-7-4-3-5-8-9;1-2/h4,7-8H,2-3,5-6H2,1H3;1-2H2
InChIKeyVPMMECWCPRYJIK-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 145359118?
The IUPAC name of CID 145359118 (CID 145359118) is not available.
What is the SMILES notation for CID 145359118?
The canonical SMILES for CID 145359118 is CCCC1=CCCC=C1.NP.
What is the InChIKey of CID 145359118?
The InChIKey is VPMMECWCPRYJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14.H4NP/c1-2-6-9-7-4-3-5-8-9;1-2/h4,7-8H,2-3,5-6H2,1H3;1-2H2.
What are the key properties of CID 145359118?
CID 145359118 has a molecular weight of 171.22 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145359118 is sourced from PubChem (CID 145359118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).