[1-[2-(chloromethyl)prop-2-enyl]azepan-2-yl]methanol

C11H20ClNO — CID 103067978

IUPAC[1-[2-(chloromethyl)prop-2-enyl]azepan-2-yl]methanol
SMILESC=C(CCl)CN1CCCCCC1CO
InChIInChI=1S/C11H20ClNO/c1-10(7-12)8-13-6-4-2-3-5-11(13)9-14/h11,14H,1-9H2
InChIKeyFZFRXAHIVUNGOE-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.02
Rot. Bonds4

About [1-[2-(chloromethyl)prop-2-enyl]azepan-2-yl]methanol

[1-[2-(chloromethyl)prop-2-enyl]azepan-2-yl]methanol (PubChem CID 103067978) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is [1-[2-(chloromethyl)prop-2-enyl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(chloromethyl)prop-2-enyl]azepan-2-yl]methanol
PubChem CID103067978
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name[1-[2-(chloromethyl)prop-2-enyl]azepan-2-yl]methanol
SMILESC=C(CCl)CN1CCCCCC1CO
InChIInChI=1S/C11H20ClNO/c1-10(7-12)8-13-6-4-2-3-5-11(13)9-14/h11,14H,1-9H2
InChIKeyFZFRXAHIVUNGOE-UHFFFAOYSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-(methylaminomethyl)prop-2-enyl]azepan-2-yl]methanol
CID 103071368
[(2S)-1-(2-methylidenebutyl)pyrrolidin-2-yl]methanol
CID 66261614
1-cyclopropyl-2-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116635350
(1-ethylazepan-2-yl)methanol
CID 2849413
[1-(3-chloropropyl)piperidin-2-yl]methanol
CID 61407786
2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684574
[1-[[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 111781116
2-chloro-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116634371
[1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol
CID 103069579
2-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylacetamide
CID 116637269
(1-prop-2-ynylazepan-2-yl)methanol
CID 116637134
1-(azepan-1-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62013945

Frequently Asked Questions

What is the IUPAC name of [1-[2-(chloromethyl)prop-2-enyl]azepan-2-yl]methanol?
The IUPAC name of [1-[2-(chloromethyl)prop-2-enyl]azepan-2-yl]methanol (CID 103067978) is [1-[2-(chloromethyl)prop-2-enyl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[2-(chloromethyl)prop-2-enyl]azepan-2-yl]methanol?
The canonical SMILES for [1-[2-(chloromethyl)prop-2-enyl]azepan-2-yl]methanol is C=C(CCl)CN1CCCCCC1CO.
What is the InChIKey of [1-[2-(chloromethyl)prop-2-enyl]azepan-2-yl]methanol?
The InChIKey is FZFRXAHIVUNGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-10(7-12)8-13-6-4-2-3-5-11(13)9-14/h11,14H,1-9H2.
What are the key properties of [1-[2-(chloromethyl)prop-2-enyl]azepan-2-yl]methanol?
[1-[2-(chloromethyl)prop-2-enyl]azepan-2-yl]methanol has a molecular weight of 217.74 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(chloromethyl)prop-2-enyl]azepan-2-yl]methanol is sourced from PubChem (CID 103067978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).