(2S)-2-methyl-1-nitrosobutane

C5H11NO — CID 88885041

IUPAC(2S)-2-methyl-1-nitrosobutane
SMILESCC[C@H](C)CN=O
InChIInChI=1S/C5H11NO/c1-3-5(2)4-6-7/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyVDRVYWVREAXLJT-YFKPBYRVSA-N
MW101.15 g/mol
LogP1.80
Rot. Bonds3

About (2S)-2-methyl-1-nitrosobutane

(2S)-2-methyl-1-nitrosobutane (PubChem CID 88885041) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is (2S)-2-methyl-1-nitrosobutane.

Molecular Properties

Compound Name(2S)-2-methyl-1-nitrosobutane
PubChem CID88885041
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name(2S)-2-methyl-1-nitrosobutane
SMILESCC[C@H](C)CN=O
InChIInChI=1S/C5H11NO/c1-3-5(2)4-6-7/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyVDRVYWVREAXLJT-YFKPBYRVSA-N
XLogP1.80
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-nitrosobutane?
The IUPAC name of (2S)-2-methyl-1-nitrosobutane (CID 88885041) is (2S)-2-methyl-1-nitrosobutane.
What is the SMILES notation for (2S)-2-methyl-1-nitrosobutane?
The canonical SMILES for (2S)-2-methyl-1-nitrosobutane is CC[C@H](C)CN=O.
What is the InChIKey of (2S)-2-methyl-1-nitrosobutane?
The InChIKey is VDRVYWVREAXLJT-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H11NO/c1-3-5(2)4-6-7/h5H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-2-methyl-1-nitrosobutane?
(2S)-2-methyl-1-nitrosobutane has a molecular weight of 101.15 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-nitrosobutane is sourced from PubChem (CID 88885041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).