methyl N-hept-6-en-3-ylcarbamate

C9H17NO2 — CID 176564834

IUPACmethyl N-hept-6-en-3-ylcarbamate
SMILESC=CCCC(CC)NC(=O)OC
InChIInChI=1S/C9H17NO2/c1-4-6-7-8(5-2)10-9(11)12-3/h4,8H,1,5-7H2,2-3H3,(H,10,11)
InChIKeyFXBBRRGPCXEVQS-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.09
Rot. Bonds5

About methyl N-hept-6-en-3-ylcarbamate

methyl N-hept-6-en-3-ylcarbamate (PubChem CID 176564834) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl N-hept-6-en-3-ylcarbamate.

Molecular Properties

Compound Namemethyl N-hept-6-en-3-ylcarbamate
PubChem CID176564834
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl N-hept-6-en-3-ylcarbamate
SMILESC=CCCC(CC)NC(=O)OC
InChIInChI=1S/C9H17NO2/c1-4-6-7-8(5-2)10-9(11)12-3/h4,8H,1,5-7H2,2-3H3,(H,10,11)
InChIKeyFXBBRRGPCXEVQS-UHFFFAOYSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(1-aminopentan-3-yl)carbamate
CID 62651614
methyl N-[1-(methoxycarbonylamino)butan-2-yl]carbamate
CID 54287904
tert-butyl N-[(3R)-1-(dimethylamino)-1-oxohept-6-en-3-yl]carbamate
CID 95898119
3-(hept-6-en-3-ylamino)butanamide
CID 115867780
N-[2-(hept-6-en-3-ylamino)ethyl]-2-methylpropanamide
CID 115706536
3-(hept-6-en-3-ylamino)-4-methoxybutan-1-ol
CID 115722621
methyl N-[1-(methoxycarbonylamino)butyl]carbamate
CID 174942846
2-(hept-6-en-3-ylamino)-N-propylacetamide
CID 115707124
N-(cyclopropylmethyl)-2-(hept-6-en-3-ylamino)acetamide
CID 115976246
methyl 2-(hex-5-en-2-ylamino)-3-methylpentanoate
CID 104655556
methyl N-(1-methoxypentan-2-yl)carbamate
CID 116656283
methyl 5-(methylamino)non-8-en-2-yl carbonate
CID 144632305

Frequently Asked Questions

What is the IUPAC name of methyl N-hept-6-en-3-ylcarbamate?
The IUPAC name of methyl N-hept-6-en-3-ylcarbamate (CID 176564834) is methyl N-hept-6-en-3-ylcarbamate.
What is the SMILES notation for methyl N-hept-6-en-3-ylcarbamate?
The canonical SMILES for methyl N-hept-6-en-3-ylcarbamate is C=CCCC(CC)NC(=O)OC.
What is the InChIKey of methyl N-hept-6-en-3-ylcarbamate?
The InChIKey is FXBBRRGPCXEVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-6-7-8(5-2)10-9(11)12-3/h4,8H,1,5-7H2,2-3H3,(H,10,11).
What are the key properties of methyl N-hept-6-en-3-ylcarbamate?
methyl N-hept-6-en-3-ylcarbamate has a molecular weight of 171.24 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-hept-6-en-3-ylcarbamate is sourced from PubChem (CID 176564834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).