N-[(3Z)-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]formamide

C10H17NO2 — CID 143052133

IUPACN-[(3Z)-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]formamide
SMILESC=C(/C=C(\OC)C(C)(C)C)NC=O
InChIInChI=1S/C10H17NO2/c1-8(11-7-12)6-9(13-5)10(2,3)4/h6-7H,1H2,2-5H3,(H,11,12)/b9-6-
InChIKeyIFFIWPXHDGUJGB-TWGQIWQCSA-N
MW183.25 g/mol
LogP1.82
Rot. Bonds4

About N-[(3Z)-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]formamide

N-[(3Z)-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]formamide (PubChem CID 143052133) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[(3Z)-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]formamide.

Molecular Properties

Compound NameN-[(3Z)-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]formamide
PubChem CID143052133
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-[(3Z)-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]formamide
SMILESC=C(/C=C(\OC)C(C)(C)C)NC=O
InChIInChI=1S/C10H17NO2/c1-8(11-7-12)6-9(13-5)10(2,3)4/h6-7H,1H2,2-5H3,(H,11,12)/b9-6-
InChIKeyIFFIWPXHDGUJGB-TWGQIWQCSA-N
XLogP1.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E)-4-methoxy-5,5-dimethylhexa-1,3-diene
CID 14045263
N-[1-(4-methoxyphenyl)ethenyl]formamide
CID 14117206
(3Z)-3-tert-butyl-5-methoxyhexa-1,3,5-trien-2-ol
CID 143504031
acetaldehyde;methyl acetate;2-methylprop-2-enal
CID 174926780
N-[1-[(E)-ethylideneamino]oxyethenyl]formamide
CID 143561704
4-methoxy-2-methylpenta-2,4-dienal
CID 123705990
methyl (Z)-3-hydroxy-4,4-dimethylpent-2-enoate
CID 54675983
methyl 4,4-dimethyl-3-methylidenepentanoate
CID 86181617
(3E,5E)-5-hydroxy-4-methoxy-7-methylocta-3,5,7-trienal
CID 88612999
(1E)-1-methoxy-3-methylbuta-1,3-dien-1-ol
CID 134856405
N-(1,1-dimethoxyethyl)formamide
CID 57315952
methyl (3R,4E)-3-hydroxy-6-iodo-2,2,4-trimethylhepta-4,6-dienoate
CID 71480975

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]formamide?
The IUPAC name of N-[(3Z)-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]formamide (CID 143052133) is N-[(3Z)-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]formamide.
What is the SMILES notation for N-[(3Z)-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]formamide?
The canonical SMILES for N-[(3Z)-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]formamide is C=C(/C=C(\OC)C(C)(C)C)NC=O.
What is the InChIKey of N-[(3Z)-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]formamide?
The InChIKey is IFFIWPXHDGUJGB-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(11-7-12)6-9(13-5)10(2,3)4/h6-7H,1H2,2-5H3,(H,11,12)/b9-6-.
What are the key properties of N-[(3Z)-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]formamide?
N-[(3Z)-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]formamide has a molecular weight of 183.25 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]formamide is sourced from PubChem (CID 143052133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).