CID 102374158

C7H10NO — CID 102374158

IUPAC—
SMILESC=NCCCC(=C)[C]=O
InChIInChI=1S/C7H10NO/c1-7(6-9)4-3-5-8-2/h1-5H2
InChIKeyQFNWXGBEKRPPBK-UHFFFAOYSA-N
MW124.16 g/mol
LogP1.13
Rot. Bonds5

About CID 102374158

CID 102374158 (PubChem CID 102374158) has the molecular formula C7H10NO and a molecular weight of 124.16 g/mol.

Molecular Properties

Compound NameCID 102374158
PubChem CID102374158
Molecular FormulaC7H10NO
Molecular Weight124.16 g/mol
Exact Mass124.08
IUPAC Name—
SMILESC=NCCCC(=C)[C]=O
InChIInChI=1S/C7H10NO/c1-7(6-9)4-3-5-8-2/h1-5H2
InChIKeyQFNWXGBEKRPPBK-UHFFFAOYSA-N
XLogP1.13
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.16
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 102374158?
The IUPAC name of CID 102374158 (CID 102374158) is not available.
What is the SMILES notation for CID 102374158?
The canonical SMILES for CID 102374158 is C=NCCCC(=C)[C]=O.
What is the InChIKey of CID 102374158?
The InChIKey is QFNWXGBEKRPPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10NO/c1-7(6-9)4-3-5-8-2/h1-5H2.
What are the key properties of CID 102374158?
CID 102374158 has a molecular weight of 124.16 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102374158 is sourced from PubChem (CID 102374158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).