[4-[(E)-3-hydroxyprop-1-enyl]cyclohexyl]carbamic acid

C10H17NO3 — CID 172688801

IUPAC[4-[(E)-3-hydroxyprop-1-enyl]cyclohexyl]carbamic acid
SMILESO=C(O)NC1CCC(/C=C/CO)CC1
InChIInChI=1S/C10H17NO3/c12-7-1-2-8-3-5-9(6-4-8)11-10(13)14/h1-2,8-9,11-12H,3-7H2,(H,13,14)/b2-1+
InChIKeyBJWJUOFQIPZTPY-OWOJBTEDSA-N
MW199.25 g/mol
LogP1.36
Rot. Bonds3

About [4-[(E)-3-hydroxyprop-1-enyl]cyclohexyl]carbamic acid

[4-[(E)-3-hydroxyprop-1-enyl]cyclohexyl]carbamic acid (PubChem CID 172688801) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is [4-[(E)-3-hydroxyprop-1-enyl]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[(E)-3-hydroxyprop-1-enyl]cyclohexyl]carbamic acid
PubChem CID172688801
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name[4-[(E)-3-hydroxyprop-1-enyl]cyclohexyl]carbamic acid
SMILESO=C(O)NC1CCC(/C=C/CO)CC1
InChIInChI=1S/C10H17NO3/c12-7-1-2-8-3-5-9(6-4-8)11-10(13)14/h1-2,8-9,11-12H,3-7H2,(H,13,14)/b2-1+
InChIKeyBJWJUOFQIPZTPY-OWOJBTEDSA-N
XLogP1.36
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.36
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 [4-[(E)-3-hydroxyprop-1-enyl]cyclohexyl]carbamic acid?
The IUPAC name of [4-[(E)-3-hydroxyprop-1-enyl]cyclohexyl]carbamic acid (CID 172688801) is [4-[(E)-3-hydroxyprop-1-enyl]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[(E)-3-hydroxyprop-1-enyl]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[(E)-3-hydroxyprop-1-enyl]cyclohexyl]carbamic acid is O=C(O)NC1CCC(/C=C/CO)CC1.
What is the InChIKey of [4-[(E)-3-hydroxyprop-1-enyl]cyclohexyl]carbamic acid?
The InChIKey is BJWJUOFQIPZTPY-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H17NO3/c12-7-1-2-8-3-5-9(6-4-8)11-10(13)14/h1-2,8-9,11-12H,3-7H2,(H,13,14)/b2-1+.
What are the key properties of [4-[(E)-3-hydroxyprop-1-enyl]cyclohexyl]carbamic acid?
[4-[(E)-3-hydroxyprop-1-enyl]cyclohexyl]carbamic acid has a molecular weight of 199.25 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-3-hydroxyprop-1-enyl]cyclohexyl]carbamic acid is sourced from PubChem (CID 172688801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).