trans-(1S,2R)-2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)cyclopropane-1-carbaldehyde

C10H12N2O3 — CID 10727056

IUPACtrans-(1S,2R)-2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)cyclopropane-1-carbaldehyde
SMILESCn1c([C@@H]2C[C@@H]2C=O)cc(=O)n(C)c1=O
InChIInChI=1S/C10H12N2O3/c1-11-8(7-3-6(7)5-13)4-9(14)12(2)10(11)15/h4-7H,3H2,1-2H3/t6-,7-/m1/s1
InChIKeyNXUZWFVFBGKSCM-RNFRBKRXSA-N
MW208.22 g/mol
LogP-0.61
Rot. Bonds2

About trans-(1S,2R)-2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)cyclopropane-1-carbaldehyde

trans-(1S,2R)-2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)cyclopropane-1-carbaldehyde (PubChem CID 10727056) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is trans-(1S,2R)-2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)cyclopropane-1-carbaldehyde
PubChem CID10727056
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Nametrans-(1S,2R)-2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)cyclopropane-1-carbaldehyde
SMILESCn1c([C@@H]2C[C@@H]2C=O)cc(=O)n(C)c1=O
InChIInChI=1S/C10H12N2O3/c1-11-8(7-3-6(7)5-13)4-9(14)12(2)10(11)15/h4-7H,3H2,1-2H3/t6-,7-/m1/s1
InChIKeyNXUZWFVFBGKSCM-RNFRBKRXSA-N
XLogP-0.61
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)cyclopropane-1-carbaldehyde?
The IUPAC name of trans-(1S,2R)-2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)cyclopropane-1-carbaldehyde (CID 10727056) is trans-(1S,2R)-2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for trans-(1S,2R)-2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)cyclopropane-1-carbaldehyde?
The canonical SMILES for trans-(1S,2R)-2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)cyclopropane-1-carbaldehyde is Cn1c([C@@H]2C[C@@H]2C=O)cc(=O)n(C)c1=O.
What is the InChIKey of trans-(1S,2R)-2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)cyclopropane-1-carbaldehyde?
The InChIKey is NXUZWFVFBGKSCM-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-11-8(7-3-6(7)5-13)4-9(14)12(2)10(11)15/h4-7H,3H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of trans-(1S,2R)-2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)cyclopropane-1-carbaldehyde?
trans-(1S,2R)-2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)cyclopropane-1-carbaldehyde has a molecular weight of 208.22 g/mol, XLogP of -0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 10727056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).