cyclopentanone;cyclopentene;molecular nitrogen;nitrous amide

C10H18N4O2 — CID 159611251

IUPACcyclopentanone;cyclopentene;molecular nitrogen;nitrous amide
SMILESC1=CCCC1.N#N.NN=O.O=C1CCCC1
InChIInChI=1S/C5H8O.C5H8.H2N2O.N2/c6-5-3-1-2-4-5;1-2-4-5-3-1;1-2-3;1-2/h1-4H2;1-2H,3-5H2;(H2,1,3);
InChIKeyMMSICSRWLUBYJA-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.51
Rot. Bonds

About cyclopentanone;cyclopentene;molecular nitrogen;nitrous amide

cyclopentanone;cyclopentene;molecular nitrogen;nitrous amide (PubChem CID 159611251) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is cyclopentanone;cyclopentene;molecular nitrogen;nitrous amide.

Molecular Properties

Compound Namecyclopentanone;cyclopentene;molecular nitrogen;nitrous amide
PubChem CID159611251
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Namecyclopentanone;cyclopentene;molecular nitrogen;nitrous amide
SMILESC1=CCCC1.N#N.NN=O.O=C1CCCC1
InChIInChI=1S/C5H8O.C5H8.H2N2O.N2/c6-5-3-1-2-4-5;1-2-4-5-3-1;1-2-3;1-2/h1-4H2;1-2H,3-5H2;(H2,1,3);
InChIKeyMMSICSRWLUBYJA-UHFFFAOYSA-N
XLogP2.51
TPSA120.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(6E,10Z)-cyclopentadeca-6,10-dien-1-one
CID 12036583
cyclohexanone;cyclohexene
CID 67659841
(10Z)-cycloicos-10-en-1-one
CID 11254844
(5E)-cycloheptadec-5-en-1-one
CID 13199934
cycloheptadec-4-en-1-one
CID 69002216
(4E,10E)-cyclotetradeca-4,10-dien-1-one
CID 21249531
(3Z,7Z)-cyclododeca-3,7-dien-1-one
CID 69032820
(3Z)-cyclododec-3-en-1-one
CID 18348362
CID 162230812
CID 162230812
cyclotricosanone
CID 54375596
cyclododecanone
CID 141308130
cyclopentanone;cyclopent-3-en-1-one
CID 67539002

Frequently Asked Questions

What is the IUPAC name of cyclopentanone;cyclopentene;molecular nitrogen;nitrous amide?
The IUPAC name of cyclopentanone;cyclopentene;molecular nitrogen;nitrous amide (CID 159611251) is cyclopentanone;cyclopentene;molecular nitrogen;nitrous amide.
What is the SMILES notation for cyclopentanone;cyclopentene;molecular nitrogen;nitrous amide?
The canonical SMILES for cyclopentanone;cyclopentene;molecular nitrogen;nitrous amide is C1=CCCC1.N#N.NN=O.O=C1CCCC1.
What is the InChIKey of cyclopentanone;cyclopentene;molecular nitrogen;nitrous amide?
The InChIKey is MMSICSRWLUBYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O.C5H8.H2N2O.N2/c6-5-3-1-2-4-5;1-2-4-5-3-1;1-2-3;1-2/h1-4H2;1-2H,3-5H2;(H2,1,3);.
What are the key properties of cyclopentanone;cyclopentene;molecular nitrogen;nitrous amide?
cyclopentanone;cyclopentene;molecular nitrogen;nitrous amide has a molecular weight of 226.28 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanone;cyclopentene;molecular nitrogen;nitrous amide is sourced from PubChem (CID 159611251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).