N-[cycloheptyl(hydroxy)methyl]formamide

C9H17NO2 — CID 173391140

IUPACN-[cycloheptyl(hydroxy)methyl]formamide
SMILESO=CNC(O)C1CCCCCC1
InChIInChI=1S/C9H17NO2/c11-7-10-9(12)8-5-3-1-2-4-6-8/h7-9,12H,1-6H2,(H,10,11)
InChIKeyXPKFIPFUYLZRMB-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.02
Rot. Bonds3

About N-[cycloheptyl(hydroxy)methyl]formamide

N-[cycloheptyl(hydroxy)methyl]formamide (PubChem CID 173391140) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-[cycloheptyl(hydroxy)methyl]formamide.

Molecular Properties

Compound NameN-[cycloheptyl(hydroxy)methyl]formamide
PubChem CID173391140
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-[cycloheptyl(hydroxy)methyl]formamide
SMILESO=CNC(O)C1CCCCCC1
InChIInChI=1S/C9H17NO2/c11-7-10-9(12)8-5-3-1-2-4-6-8/h7-9,12H,1-6H2,(H,10,11)
InChIKeyXPKFIPFUYLZRMB-UHFFFAOYSA-N
XLogP1.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-cycloheptylethyl]formamide
CID 81392198
ethyl 3-cycloheptyl-2-formamido-3-hydroxypropanoate
CID 66205924
N-[cyclohexyl(hydroxy)methyl]prop-2-enamide
CID 57207011
[cyclobutyl(formamido)methyl]boronic acid
CID 176661836
N-[cyclohexyl(hydroxy)methyl]cyclohexanecarboxamide
CID 101432144
ethyl 2-cycloheptyl-2-formamidoacetate
CID 163197902
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
(3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal
CID 87862322
1,2,2-tricyclohexylethylcyclohexane
CID 59850833
(2S)-1-[(2S)-2-cyclohexyl-2-formamidoacetyl]pyrrolidine-2-carboxylic acid
CID 88885614
cyclooctyl(cyclopropyl)methanol
CID 80603317
3-cyclohexyl-2-methylpropane-1,1-diol
CID 20647941

Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl(hydroxy)methyl]formamide?
The IUPAC name of N-[cycloheptyl(hydroxy)methyl]formamide (CID 173391140) is N-[cycloheptyl(hydroxy)methyl]formamide.
What is the SMILES notation for N-[cycloheptyl(hydroxy)methyl]formamide?
The canonical SMILES for N-[cycloheptyl(hydroxy)methyl]formamide is O=CNC(O)C1CCCCCC1.
What is the InChIKey of N-[cycloheptyl(hydroxy)methyl]formamide?
The InChIKey is XPKFIPFUYLZRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c11-7-10-9(12)8-5-3-1-2-4-6-8/h7-9,12H,1-6H2,(H,10,11).
What are the key properties of N-[cycloheptyl(hydroxy)methyl]formamide?
N-[cycloheptyl(hydroxy)methyl]formamide has a molecular weight of 171.24 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloheptyl(hydroxy)methyl]formamide is sourced from PubChem (CID 173391140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).