N-[[1-(hydroxymethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide

C12H19NO2 — CID 115455350

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NCC1(CO)CC1)C1CC2CC2C1
InChIInChI=1S/C12H19NO2/c14-7-12(1-2-12)6-13-11(15)10-4-8-3-9(8)5-10/h8-10,14H,1-7H2,(H,13,15)
InChIKeyAAYFRCPQMURQLT-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.92
Rot. Bonds4

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 115455350) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID115455350
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NCC1(CO)CC1)C1CC2CC2C1
InChIInChI=1S/C12H19NO2/c14-7-12(1-2-12)6-13-11(15)10-4-8-3-9(8)5-10/h8-10,14H,1-7H2,(H,13,15)
InChIKeyAAYFRCPQMURQLT-UHFFFAOYSA-N
XLogP0.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 115456224
N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide
CID 80717782
4,4-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 115774921
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 80712184
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiolane-3-carboxamide
CID 115362677
2-[[1-(hydroxymethyl)cyclopropyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 115454200
N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide
CID 112701948
N-[3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-oxopropyl]cyclopentanecarboxamide
CID 80717607
N-[[1-(hydroxymethyl)cyclopentyl]methyl]oxane-3-carboxamide
CID 113294474
N-[[1-(hydroxymethyl)cyclopropyl]methyl]prop-2-ynamide
CID 115455293
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127121
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 110292609

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide (CID 115455350) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide is O=C(NCC1(CO)CC1)C1CC2CC2C1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is AAYFRCPQMURQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-7-12(1-2-12)6-13-11(15)10-4-8-3-9(8)5-10/h8-10,14H,1-7H2,(H,13,15).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 115455350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).