methyl-[4-(3-oxopropyl)cyclohexyl]carbamic acid

C11H19NO3 — CID 22567645

IUPACmethyl-[4-(3-oxopropyl)cyclohexyl]carbamic acid
SMILESCN(C(=O)O)C1CCC(CCC=O)CC1
InChIInChI=1S/C11H19NO3/c1-12(11(14)15)10-6-4-9(5-7-10)3-2-8-13/h8-10H,2-7H2,1H3,(H,14,15)
InChIKeyBPFMELDZQXMTLT-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.13
Rot. Bonds4

About methyl-[4-(3-oxopropyl)cyclohexyl]carbamic acid

methyl-[4-(3-oxopropyl)cyclohexyl]carbamic acid (PubChem CID 22567645) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl-[4-(3-oxopropyl)cyclohexyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[4-(3-oxopropyl)cyclohexyl]carbamic acid
PubChem CID22567645
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl-[4-(3-oxopropyl)cyclohexyl]carbamic acid
SMILESCN(C(=O)O)C1CCC(CCC=O)CC1
InChIInChI=1S/C11H19NO3/c1-12(11(14)15)10-6-4-9(5-7-10)3-2-8-13/h8-10H,2-7H2,1H3,(H,14,15)
InChIKeyBPFMELDZQXMTLT-UHFFFAOYSA-N
XLogP2.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-[4-(3-oxopropyl)cyclohexyl]carbamic acid?
The IUPAC name of methyl-[4-(3-oxopropyl)cyclohexyl]carbamic acid (CID 22567645) is methyl-[4-(3-oxopropyl)cyclohexyl]carbamic acid.
What is the SMILES notation for methyl-[4-(3-oxopropyl)cyclohexyl]carbamic acid?
The canonical SMILES for methyl-[4-(3-oxopropyl)cyclohexyl]carbamic acid is CN(C(=O)O)C1CCC(CCC=O)CC1.
What is the InChIKey of methyl-[4-(3-oxopropyl)cyclohexyl]carbamic acid?
The InChIKey is BPFMELDZQXMTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-12(11(14)15)10-6-4-9(5-7-10)3-2-8-13/h8-10H,2-7H2,1H3,(H,14,15).
What are the key properties of methyl-[4-(3-oxopropyl)cyclohexyl]carbamic acid?
methyl-[4-(3-oxopropyl)cyclohexyl]carbamic acid has a molecular weight of 213.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[4-(3-oxopropyl)cyclohexyl]carbamic acid is sourced from PubChem (CID 22567645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).