cis-(1R,2R)-1-nitroso-2-pent-4-enylcyclopropane

C8H13NO — CID 90160291

IUPACcis-(1R,2R)-1-nitroso-2-pent-4-enylcyclopropane
SMILESC=CCCC[C@@H]1C[C@H]1N=O
InChIInChI=1S/C8H13NO/c1-2-3-4-5-7-6-8(7)9-10/h2,7-8H,1,3-6H2/t7-,8-/m1/s1
InChIKeyYVPDMSFZIHBPNN-HTQZYQBOSA-N
MW139.20 g/mol
LogP2.50
Rot. Bonds5

About cis-(1R,2R)-1-nitroso-2-pent-4-enylcyclopropane

cis-(1R,2R)-1-nitroso-2-pent-4-enylcyclopropane (PubChem CID 90160291) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is cis-(1R,2R)-1-nitroso-2-pent-4-enylcyclopropane.

Molecular Properties

Compound Namecis-(1R,2R)-1-nitroso-2-pent-4-enylcyclopropane
PubChem CID90160291
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Namecis-(1R,2R)-1-nitroso-2-pent-4-enylcyclopropane
SMILESC=CCCC[C@@H]1C[C@H]1N=O
InChIInChI=1S/C8H13NO/c1-2-3-4-5-7-6-8(7)9-10/h2,7-8H,1,3-6H2/t7-,8-/m1/s1
InChIKeyYVPDMSFZIHBPNN-HTQZYQBOSA-N
XLogP2.50
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-1-nitroso-2-pent-4-enylcyclopropane?
The IUPAC name of cis-(1R,2R)-1-nitroso-2-pent-4-enylcyclopropane (CID 90160291) is cis-(1R,2R)-1-nitroso-2-pent-4-enylcyclopropane.
What is the SMILES notation for cis-(1R,2R)-1-nitroso-2-pent-4-enylcyclopropane?
The canonical SMILES for cis-(1R,2R)-1-nitroso-2-pent-4-enylcyclopropane is C=CCCC[C@@H]1C[C@H]1N=O.
What is the InChIKey of cis-(1R,2R)-1-nitroso-2-pent-4-enylcyclopropane?
The InChIKey is YVPDMSFZIHBPNN-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-3-4-5-7-6-8(7)9-10/h2,7-8H,1,3-6H2/t7-,8-/m1/s1.
What are the key properties of cis-(1R,2R)-1-nitroso-2-pent-4-enylcyclopropane?
cis-(1R,2R)-1-nitroso-2-pent-4-enylcyclopropane has a molecular weight of 139.20 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-1-nitroso-2-pent-4-enylcyclopropane is sourced from PubChem (CID 90160291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).