N-[(2R,3S)-2-methyloxan-3-yl]formamide

C7H13NO2 — CID 129044544

IUPACN-[(2R,3S)-2-methyloxan-3-yl]formamide
SMILESC[C@H]1OCCC[C@@H]1NC=O
InChIInChI=1S/C7H13NO2/c1-6-7(8-5-9)3-2-4-10-6/h5-7H,2-4H2,1H3,(H,8,9)/t6-,7+/m1/s1
InChIKeyHKUNPBPFFIYIPX-RQJHMYQMSA-N
MW143.19 g/mol
LogP0.30
Rot. Bonds2

About N-[(2R,3S)-2-methyloxan-3-yl]formamide

N-[(2R,3S)-2-methyloxan-3-yl]formamide (PubChem CID 129044544) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-[(2R,3S)-2-methyloxan-3-yl]formamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-methyloxan-3-yl]formamide
PubChem CID129044544
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-[(2R,3S)-2-methyloxan-3-yl]formamide
SMILESC[C@H]1OCCC[C@@H]1NC=O
InChIInChI=1S/C7H13NO2/c1-6-7(8-5-9)3-2-4-10-6/h5-7H,2-4H2,1H3,(H,8,9)/t6-,7+/m1/s1
InChIKeyHKUNPBPFFIYIPX-RQJHMYQMSA-N
XLogP0.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-N,2-dimethyloxan-3-amine
CID 129044536
(2S,3R)-2,3-dimethyloxane
CID 121479351
(2R,3R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]oxolan-3-amine
CID 97358136
N-(2-methoxycyclopentyl)formamide
CID 64992679
(2R,3R)-2-methyl-N-(2-methylcyclopentyl)oxolan-3-amine
CID 131175979
N-(2-tert-butylcyclohexyl)formamide
CID 64990782
(2R,3R)-2-methyl-N-[(1S,2R)-2-methylcyclohexyl]oxolan-3-amine
CID 97358044
(2S,3R)-3-ethenyl-2-methyloxane
CID 139439800
(2R,3S)-3-ethenyl-2-methyloxane
CID 134995886
(3R)-2,3,4-trimethyloxepane
CID 144648748
N-(2-methyloxolan-3-yl)azetidine-1-carboxamide
CID 126999523
N-(2,5,5-trimethylcyclohexyl)formamide
CID 23292724

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-methyloxan-3-yl]formamide?
The IUPAC name of N-[(2R,3S)-2-methyloxan-3-yl]formamide (CID 129044544) is N-[(2R,3S)-2-methyloxan-3-yl]formamide.
What is the SMILES notation for N-[(2R,3S)-2-methyloxan-3-yl]formamide?
The canonical SMILES for N-[(2R,3S)-2-methyloxan-3-yl]formamide is C[C@H]1OCCC[C@@H]1NC=O.
What is the InChIKey of N-[(2R,3S)-2-methyloxan-3-yl]formamide?
The InChIKey is HKUNPBPFFIYIPX-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6-7(8-5-9)3-2-4-10-6/h5-7H,2-4H2,1H3,(H,8,9)/t6-,7+/m1/s1.
What are the key properties of N-[(2R,3S)-2-methyloxan-3-yl]formamide?
N-[(2R,3S)-2-methyloxan-3-yl]formamide has a molecular weight of 143.19 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-methyloxan-3-yl]formamide is sourced from PubChem (CID 129044544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).