1-[(3-hydroxycyclobutyl)methyl]-3-propan-2-ylurea

C9H18N2O2 — CID 66006084

IUPAC1-[(3-hydroxycyclobutyl)methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC1CC(O)C1
InChIInChI=1S/C9H18N2O2/c1-6(2)11-9(13)10-5-7-3-8(12)4-7/h6-8,12H,3-5H2,1-2H3,(H2,10,11,13)
InChIKeyCHKNTACYAUVYSJ-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.46
Rot. Bonds3

About 1-[(3-hydroxycyclobutyl)methyl]-3-propan-2-ylurea

1-[(3-hydroxycyclobutyl)methyl]-3-propan-2-ylurea (PubChem CID 66006084) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-[(3-hydroxycyclobutyl)methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(3-hydroxycyclobutyl)methyl]-3-propan-2-ylurea
PubChem CID66006084
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-[(3-hydroxycyclobutyl)methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC1CC(O)C1
InChIInChI=1S/C9H18N2O2/c1-6(2)11-9(13)10-5-7-3-8(12)4-7/h6-8,12H,3-5H2,1-2H3,(H2,10,11,13)
InChIKeyCHKNTACYAUVYSJ-UHFFFAOYSA-N
XLogP0.46
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxycyclobutyl)methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[(3-hydroxycyclobutyl)methyl]-3-propan-2-ylurea (CID 66006084) is 1-[(3-hydroxycyclobutyl)methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(3-hydroxycyclobutyl)methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(3-hydroxycyclobutyl)methyl]-3-propan-2-ylurea is CC(C)NC(=O)NCC1CC(O)C1.
What is the InChIKey of 1-[(3-hydroxycyclobutyl)methyl]-3-propan-2-ylurea?
The InChIKey is CHKNTACYAUVYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6(2)11-9(13)10-5-7-3-8(12)4-7/h6-8,12H,3-5H2,1-2H3,(H2,10,11,13).
What are the key properties of 1-[(3-hydroxycyclobutyl)methyl]-3-propan-2-ylurea?
1-[(3-hydroxycyclobutyl)methyl]-3-propan-2-ylurea has a molecular weight of 186.25 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxycyclobutyl)methyl]-3-propan-2-ylurea is sourced from PubChem (CID 66006084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).