tert-butyl N-(4-methylpenta-1,3-dien-2-yl)carbamate

C11H19NO2 — CID 90352815

IUPACtert-butyl N-(4-methylpenta-1,3-dien-2-yl)carbamate
SMILESC=C(C=C(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO2/c1-8(2)7-9(3)12-10(13)14-11(4,5)6/h7H,3H2,1-2,4-6H3,(H,12,13)
InChIKeyVDVJCQPFLNCHRF-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.99
Rot. Bonds2

About tert-butyl N-(4-methylpenta-1,3-dien-2-yl)carbamate

tert-butyl N-(4-methylpenta-1,3-dien-2-yl)carbamate (PubChem CID 90352815) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is tert-butyl N-(4-methylpenta-1,3-dien-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-methylpenta-1,3-dien-2-yl)carbamate
PubChem CID90352815
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nametert-butyl N-(4-methylpenta-1,3-dien-2-yl)carbamate
SMILESC=C(C=C(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO2/c1-8(2)7-9(3)12-10(13)14-11(4,5)6/h7H,3H2,1-2,4-6H3,(H,12,13)
InChIKeyVDVJCQPFLNCHRF-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 14817908
tert-butyl N-ethanethioylcarbamate
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(2-methylpropan-2-yl)oxycarbonylcarbamic acid
CID 15431621
tert-butyl N-(2,6-dimethylhept-5-enoyl)carbamate
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tert-butyl N-[1-(propylideneamino)ethenyl]carbamate
CID 174088644
tert-butyl N-(1-phenylethenyl)carbamate
CID 24881759
tert-butyl N-pent-1-en-3-yn-2-ylcarbamate
CID 101065244
tert-butyl N-[(1E)-1-hydroxybuta-1,3-dienyl]carbamate
CID 154986813
tert-butyl N-(2-oxohex-3-en-3-yl)carbamate
CID 87528852
tert-butyl N-[(Z)-3-amino-1-(methylideneamino)-3-methyliminoprop-1-enyl]carbamate
CID 137204261
methyl (2Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]penta-2,4-dienoate
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tert-butyl N-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]carbamate
CID 142024551

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-methylpenta-1,3-dien-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4-methylpenta-1,3-dien-2-yl)carbamate (CID 90352815) is tert-butyl N-(4-methylpenta-1,3-dien-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-methylpenta-1,3-dien-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-methylpenta-1,3-dien-2-yl)carbamate is C=C(C=C(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-methylpenta-1,3-dien-2-yl)carbamate?
The InChIKey is VDVJCQPFLNCHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(2)7-9(3)12-10(13)14-11(4,5)6/h7H,3H2,1-2,4-6H3,(H,12,13).
What are the key properties of tert-butyl N-(4-methylpenta-1,3-dien-2-yl)carbamate?
tert-butyl N-(4-methylpenta-1,3-dien-2-yl)carbamate has a molecular weight of 197.28 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-methylpenta-1,3-dien-2-yl)carbamate is sourced from PubChem (CID 90352815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).