1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-methylurea

C8H14N2O2 — CID 15699120

IUPAC1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-methylurea
SMILESCNC(=O)N[C@H]1C=C[C@@H](CO)C1
InChIInChI=1S/C8H14N2O2/c1-9-8(12)10-7-3-2-6(4-7)5-11/h2-3,6-7,11H,4-5H2,1H3,(H2,9,10,12)/t6-,7+/m1/s1
InChIKeyOOFKQTHXEYNBPL-RQJHMYQMSA-N
MW170.21 g/mol
LogP-0.15
Rot. Bonds2

About 1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-methylurea

1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-methylurea (PubChem CID 15699120) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-methylurea.

Molecular Properties

Compound Name1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-methylurea
PubChem CID15699120
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-methylurea
SMILESCNC(=O)N[C@H]1C=C[C@@H](CO)C1
InChIInChI=1S/C8H14N2O2/c1-9-8(12)10-7-3-2-6(4-7)5-11/h2-3,6-7,11H,4-5H2,1H3,(H2,9,10,12)/t6-,7+/m1/s1
InChIKeyOOFKQTHXEYNBPL-RQJHMYQMSA-N
XLogP-0.15
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-methylurea?
The IUPAC name of 1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-methylurea (CID 15699120) is 1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-methylurea.
What is the SMILES notation for 1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-methylurea?
The canonical SMILES for 1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-methylurea is CNC(=O)N[C@H]1C=C[C@@H](CO)C1.
What is the InChIKey of 1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-methylurea?
The InChIKey is OOFKQTHXEYNBPL-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-9-8(12)10-7-3-2-6(4-7)5-11/h2-3,6-7,11H,4-5H2,1H3,(H2,9,10,12)/t6-,7+/m1/s1.
What are the key properties of 1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-methylurea?
1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-methylurea has a molecular weight of 170.21 g/mol, XLogP of -0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-methylurea is sourced from PubChem (CID 15699120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).