1-bicyclo[2.2.1]heptanyloxymethylurea

C9H16N2O2 — CID 66779970

IUPAC1-bicyclo[2.2.1]heptanyloxymethylurea
SMILESNC(=O)NCOC12CCC(CC1)C2
InChIInChI=1S/C9H16N2O2/c10-8(12)11-6-13-9-3-1-7(5-9)2-4-9/h7H,1-6H2,(H3,10,11,12)
InChIKeyRKKBKTRTPZQMCX-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.96
Rot. Bonds3

About 1-bicyclo[2.2.1]heptanyloxymethylurea

1-bicyclo[2.2.1]heptanyloxymethylurea (PubChem CID 66779970) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-bicyclo[2.2.1]heptanyloxymethylurea.

Molecular Properties

Compound Name1-bicyclo[2.2.1]heptanyloxymethylurea
PubChem CID66779970
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-bicyclo[2.2.1]heptanyloxymethylurea
SMILESNC(=O)NCOC12CCC(CC1)C2
InChIInChI=1S/C9H16N2O2/c10-8(12)11-6-13-9-3-1-7(5-9)2-4-9/h7H,1-6H2,(H3,10,11,12)
InChIKeyRKKBKTRTPZQMCX-UHFFFAOYSA-N
XLogP0.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-bicyclo[2.2.1]heptanyl N-(1-bicyclo[2.2.1]heptanyloxycarbonyl)carbamate
CID 68502130
1-bicyclo[2.2.1]heptanyl prop-2-enoate;methyl prop-2-enoate
CID 175853176
1-bicyclo[2.2.1]heptanyloxyarsinic acid
CID 154427418
1-bicyclo[2.2.1]heptanyl 2-methyloctanoate
CID 175460609
1-bicyclo[2.2.1]heptanyl 2,3,4,5,6-pentafluorobenzoate
CID 22294415
1-bicyclo[2.2.1]heptanyloxycarbothioyloxymethanethioic S-acid
CID 87473196
1-adamantyloxy-[N'-(1-adamantyloxy)carbamimidoyl]carbamothioic S-acid;1-bicyclo[2.2.1]heptanyloxy-[N'-(1-bicyclo[2.2.1]heptanyloxy)carbamimidoyl]carbamothioic S-acid
CID 157177602
(1-hydroxy-4-methylcyclohexyl)methylurea
CID 65121718
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
1-(1-bicyclo[2.2.1]heptanyl)prop-2-en-1-one
CID 139998340
1-bicyclo[2.2.1]heptanyloxy-dihydroxy-imino-λ5-phosphane
CID 68501514
bicyclo[2.2.1]heptane-1-carbonyl bromide
CID 21489193

Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[2.2.1]heptanyloxymethylurea?
The IUPAC name of 1-bicyclo[2.2.1]heptanyloxymethylurea (CID 66779970) is 1-bicyclo[2.2.1]heptanyloxymethylurea.
What is the SMILES notation for 1-bicyclo[2.2.1]heptanyloxymethylurea?
The canonical SMILES for 1-bicyclo[2.2.1]heptanyloxymethylurea is NC(=O)NCOC12CCC(CC1)C2.
What is the InChIKey of 1-bicyclo[2.2.1]heptanyloxymethylurea?
The InChIKey is RKKBKTRTPZQMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-8(12)11-6-13-9-3-1-7(5-9)2-4-9/h7H,1-6H2,(H3,10,11,12).
What are the key properties of 1-bicyclo[2.2.1]heptanyloxymethylurea?
1-bicyclo[2.2.1]heptanyloxymethylurea has a molecular weight of 184.24 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[2.2.1]heptanyloxymethylurea is sourced from PubChem (CID 66779970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).