N-[(3S)-2-[methoxy(methyl)amino]pent-1-en-3-yl]formamide

C8H16N2O2 — CID 142192297

IUPACN-[(3S)-2-[methoxy(methyl)amino]pent-1-en-3-yl]formamide
SMILESC=C([C@H](CC)NC=O)N(C)OC
InChIInChI=1S/C8H16N2O2/c1-5-8(9-6-11)7(2)10(3)12-4/h6,8H,2,5H2,1,3-4H3,(H,9,11)/t8-/m0/s1
InChIKeyNIPLJLCYEYEYNK-QMMMGPOBSA-N
MW172.23 g/mol
LogP0.52
Rot. Bonds6

About N-[(3S)-2-[methoxy(methyl)amino]pent-1-en-3-yl]formamide

N-[(3S)-2-[methoxy(methyl)amino]pent-1-en-3-yl]formamide (PubChem CID 142192297) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-[(3S)-2-[methoxy(methyl)amino]pent-1-en-3-yl]formamide.

Molecular Properties

Compound NameN-[(3S)-2-[methoxy(methyl)amino]pent-1-en-3-yl]formamide
PubChem CID142192297
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-[(3S)-2-[methoxy(methyl)amino]pent-1-en-3-yl]formamide
SMILESC=C([C@H](CC)NC=O)N(C)OC
InChIInChI=1S/C8H16N2O2/c1-5-8(9-6-11)7(2)10(3)12-4/h6,8H,2,5H2,1,3-4H3,(H,9,11)/t8-/m0/s1
InChIKeyNIPLJLCYEYEYNK-QMMMGPOBSA-N
XLogP0.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-formamidobutanamide
CID 55291106
N-methoxy-N,2-dimethylbutanamide;2-methylbutanal
CID 160908077
methyl 2-formamido-3-hydroxypropanoate
CID 20784540
ethyl 2-(diformamidomethyl)prop-2-enoate
CID 23020082
N-methoxy-N-methylbut-1-en-2-amine
CID 156857821
tert-butyl 2-formamido-4-methylpent-4-enoate
CID 10353162
3-ethoxy-2-formamidopropanoic acid
CID 81079931
N-ethenyl-N-ethyl-3-methylpent-1-en-2-amine
CID 137427833
N-[(2S)-butan-2-yl]formamide
CID 55285287
N-[(2R)-1-hydroxybutan-2-yl]formamide
CID 55286549
ethyl (2S)-2-formamido-4-methylpentanoate
CID 54441995
N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-oxobutan-2-yl]formamide
CID 178096823

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-[methoxy(methyl)amino]pent-1-en-3-yl]formamide?
The IUPAC name of N-[(3S)-2-[methoxy(methyl)amino]pent-1-en-3-yl]formamide (CID 142192297) is N-[(3S)-2-[methoxy(methyl)amino]pent-1-en-3-yl]formamide.
What is the SMILES notation for N-[(3S)-2-[methoxy(methyl)amino]pent-1-en-3-yl]formamide?
The canonical SMILES for N-[(3S)-2-[methoxy(methyl)amino]pent-1-en-3-yl]formamide is C=C([C@H](CC)NC=O)N(C)OC.
What is the InChIKey of N-[(3S)-2-[methoxy(methyl)amino]pent-1-en-3-yl]formamide?
The InChIKey is NIPLJLCYEYEYNK-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-5-8(9-6-11)7(2)10(3)12-4/h6,8H,2,5H2,1,3-4H3,(H,9,11)/t8-/m0/s1.
What are the key properties of N-[(3S)-2-[methoxy(methyl)amino]pent-1-en-3-yl]formamide?
N-[(3S)-2-[methoxy(methyl)amino]pent-1-en-3-yl]formamide has a molecular weight of 172.23 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-[methoxy(methyl)amino]pent-1-en-3-yl]formamide is sourced from PubChem (CID 142192297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).