methyl N-[(3R)-3-acetyl-4-methylpent-1-en-2-yl]carbamate

C10H17NO3 — CID 134269793

IUPACmethyl N-[(3R)-3-acetyl-4-methylpent-1-en-2-yl]carbamate
SMILESC=C(NC(=O)OC)[C@H](C(C)=O)C(C)C
InChIInChI=1S/C10H17NO3/c1-6(2)9(8(4)12)7(3)11-10(13)14-5/h6,9H,3H2,1-2,4-5H3,(H,11,13)/t9-/m1/s1
InChIKeyPQSRCUBXZWQYIQ-SECBINFHSA-N
MW199.25 g/mol
LogP1.72
Rot. Bonds4

About methyl N-[(3R)-3-acetyl-4-methylpent-1-en-2-yl]carbamate

methyl N-[(3R)-3-acetyl-4-methylpent-1-en-2-yl]carbamate (PubChem CID 134269793) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl N-[(3R)-3-acetyl-4-methylpent-1-en-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(3R)-3-acetyl-4-methylpent-1-en-2-yl]carbamate
PubChem CID134269793
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl N-[(3R)-3-acetyl-4-methylpent-1-en-2-yl]carbamate
SMILESC=C(NC(=O)OC)[C@H](C(C)=O)C(C)C
InChIInChI=1S/C10H17NO3/c1-6(2)9(8(4)12)7(3)11-10(13)14-5/h6,9H,3H2,1-2,4-5H3,(H,11,13)/t9-/m1/s1
InChIKeyPQSRCUBXZWQYIQ-SECBINFHSA-N
XLogP1.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl N-[(3R)-3-acetyl-4-methylpent-1-en-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[(2R)-2-chloropropanoyl]carbamate
CID 7130835
methyl N-(2-methylpropanoyl)carbamate
CID 59279110
methyl N-[2-(methoxycarbonylamino)-3-methylbutanoyl]carbamate
CID 141273313
methyl N-(3-methylbutan-2-yl)carbamate
CID 3614647
methyl N-[(3Z)-2-methylhexa-3,5-dien-3-yl]carbamate
CID 163468684
methyl N-[(3S,4S)-4-methoxy-5-methyl-2-oxohexan-3-yl]carbamate
CID 134568233
methyl N-[(3R)-2,2-dimethyl-4-oxopentan-3-yl]carbamate
CID 58257381
S-methyl 2-acetyl-3-methylbutanethioate
CID 130028880
3-(dimethoxymethyl)pentane-2,4-dione
CID 15315122
1-methoxyethyl N-(2-methylprop-2-enoyl)carbamate
CID 18965589
methyl N-[(2S,3S)-2-methoxy-4-oxopentan-3-yl]carbamate
CID 87502135
methyl (Z)-3-(methoxycarbonylamino)-2-methylbut-2-enoate
CID 59881195

Frequently Asked Questions

What is the IUPAC name of methyl N-[(3R)-3-acetyl-4-methylpent-1-en-2-yl]carbamate?
The IUPAC name of methyl N-[(3R)-3-acetyl-4-methylpent-1-en-2-yl]carbamate (CID 134269793) is methyl N-[(3R)-3-acetyl-4-methylpent-1-en-2-yl]carbamate.
What is the SMILES notation for methyl N-[(3R)-3-acetyl-4-methylpent-1-en-2-yl]carbamate?
The canonical SMILES for methyl N-[(3R)-3-acetyl-4-methylpent-1-en-2-yl]carbamate is C=C(NC(=O)OC)[C@H](C(C)=O)C(C)C.
What is the InChIKey of methyl N-[(3R)-3-acetyl-4-methylpent-1-en-2-yl]carbamate?
The InChIKey is PQSRCUBXZWQYIQ-SECBINFHSA-N. The full InChI is InChI=1S/C10H17NO3/c1-6(2)9(8(4)12)7(3)11-10(13)14-5/h6,9H,3H2,1-2,4-5H3,(H,11,13)/t9-/m1/s1.
What are the key properties of methyl N-[(3R)-3-acetyl-4-methylpent-1-en-2-yl]carbamate?
methyl N-[(3R)-3-acetyl-4-methylpent-1-en-2-yl]carbamate has a molecular weight of 199.25 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(3R)-3-acetyl-4-methylpent-1-en-2-yl]carbamate is sourced from PubChem (CID 134269793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).