aniline;formaldehyde;urea

C8H13N3O2 — CID 68656751

IUPACaniline;formaldehyde;urea
SMILESC=O.NC(N)=O.Nc1ccccc1
InChIInChI=1S/C6H7N.CH4N2O.CH2O/c7-6-4-2-1-3-5-6;2-1(3)4;1-2/h1-5H,7H2;(H4,2,3,4);1H2
InChIKeyMWJQLLRIFXDGCD-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.11
Rot. Bonds

About aniline;formaldehyde;urea

aniline;formaldehyde;urea (PubChem CID 68656751) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is aniline;formaldehyde;urea.

Molecular Properties

Compound Nameaniline;formaldehyde;urea
PubChem CID68656751
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Nameaniline;formaldehyde;urea
SMILESC=O.NC(N)=O.Nc1ccccc1
InChIInChI=1S/C6H7N.CH4N2O.CH2O/c7-6-4-2-1-3-5-6;2-1(3)4;1-2/h1-5H,7H2;(H4,2,3,4);1H2
InChIKeyMWJQLLRIFXDGCD-UHFFFAOYSA-N
XLogP0.11
TPSA112.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of aniline;formaldehyde;urea?
The IUPAC name of aniline;formaldehyde;urea (CID 68656751) is aniline;formaldehyde;urea.
What is the SMILES notation for aniline;formaldehyde;urea?
The canonical SMILES for aniline;formaldehyde;urea is C=O.NC(N)=O.Nc1ccccc1.
What is the InChIKey of aniline;formaldehyde;urea?
The InChIKey is MWJQLLRIFXDGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.CH4N2O.CH2O/c7-6-4-2-1-3-5-6;2-1(3)4;1-2/h1-5H,7H2;(H4,2,3,4);1H2.
What are the key properties of aniline;formaldehyde;urea?
aniline;formaldehyde;urea has a molecular weight of 183.21 g/mol, XLogP of 0.11, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;formaldehyde;urea is sourced from PubChem (CID 68656751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).